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27.4242 37.8859 26.1719 36.7745 21.54 44.6325 20.8903 46.1394 14.9133 47.4435 9.9659 33.6002 26.7746 38.0486 26.1719 35.833 20.8905 46.1649 21.695 29.1989 31.2074 37.6628 25.8449 33.7396 39.6691 47.4415 24.3597 33.122 35.4189 31.2396 19.9607 41.5859 43.8926 25.4224 19.2232 39.1143 14.4159 47.0467 20.6705 43.3973 49.0178 13.25 33.3066 31.0323 24.4471 40.6823 23.4937 33.839 18.563 45.056 46.8758 20.3432 19.2232 48.7692 8.4956 11.9629 9.4072 28.006 48.1629 28.4944 39.3853 35.4622 32.4176 32.2577 43.3084 25.0622 44.2021 7.6847 40.4014 20.1353 13.8695 41.7302 33.3066 22.0374 41.7302 26.7719 40.4034 36.4803 30.695 33.9803 44.3265 26.3494 40.0413 26.7189 21.2942 31.8066 14.7355 22.5726 25.0716 2.2208 3.0298 1.7208 2.9019 33.1679 29.4919 37.3144 27.4359 39.1204 32.1735 28.7476 23.6077 36.4001 26.4854 33.5762 29.0867 38.5313 37.9822 27.4342 42.2136 38.5341 22.8634 23.2026 32.8342 28.092 37.4807 42.6219 26.4826 37.5825 42.9556 20.856 22.2079 43.8225 19.8775 21.3545 43.8772 20.6841 43.5698 44.8772 45.1878 16.8131 31.5031 28.8504 35.535 16.0051 16.5024 26.178 38.8386 22.9662 15.5024 42.1234 44.9963 19.1355 45.4978 42.6193 45.6641 46.5784 16.0068 12.5427 45.0926 11.6285 12.4399 32.2023 26.4354 38.8581 10.9606 25.2257 35.8288 20.5513 44.6334 30.959 35.5468 31.6236 34.8821 28.7169 33.8026 27.6334 37.3866 31.5468 26.7556 35.14 31.2169 39.4699 36.7771 20.2232 35.4699 29.1236 30.0079 36.5413 32.6182 21.7492 24.1623 33.9311 29.4601 39.0632 45.5772 25.1133 40.4644 46.9421 30.0079 36.7492 32.8261 38.8053 24.1623 33.9311 30.3261 21.7981 40.6723 37.8542 25.1133 39.393 19.6536 46.4474 32.6122 26.0319 38.9592 20.6317 25.2257 35.2438 13.9192 38.8053 20.1477 19.549 45.5855 13.1842 20.4626 35.009 20.7232 15.2196 43.363 32.5468 34.1619 30.2388 36.4699 28.6236 34.143 42.3845 34.8011 47.7511 47.5449 38.085 25.4224 42.2783 43.1911 33.8066 18.1219 48.352 37.0452 18.791 13.6102 21.0385 18.6219 43.7713 19.6 32.0272 25.0377 39.8713 24.3597 48.523 34.2489 19.1536 9.3027 45.7968 34.0385 20.2232 18.5831 30.5934 9.4682 48.6647 29.7273 30.3854 30.6224 24.8507 40.5813 23.4937 34.424 18.9666 28.9842 44.1039 12.632 8.3892 18.7232 28.2854 37.7673 33.8442 47.9602 32.2085 32.0486 29.3035 38.4718 34.5486 41.6904 33.2266 31.3442 48.8321 26.4005 42.3949 24.7532 38.4451 12.2719 40.0924 42.7302 21.6216 14.3695 31.0546 19.9274 13.3695 44.3051 13.0605 47.1848 13.8695 32.3066 33.8066 7.5801 27.4764 38.6808 14.9573 34.7577 31.3995 32.9622 43.2302 42.604 26.7095 20.1353 21.2942 38.7542 27.5809 39.4898 21.8295 35.5667 31.504 33.0667 8.5982 43.413 26.0404 39.7323 31.8066 21.0863 27.3369 27.697 20.8784 42.7302 32.3066 21.8295 41.2302 26.3588 14.7355 13.0035 26.0497 13.0035 13.8695 1.7208 1.4118 2.7208 2.2208 3.3086 1.4118 2.7208 3.3086 33.7871 29.6513 37.9135 27.34 39.401 31.5749 28.227 23.9987 35.8796 25.8732 33.7377 29.7058 38.0921 38.319 27.9871 41.8243 38.0964 22.3429 22.8658 33.4134 27.4929 37.0897 42.9605 26.9202 37.0296 42.3764 20.4666 21.6087 44.1593 19.2983 21.6931 43.265 20.2016 43.4739 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19.2729 21.0817 20.4369 19.0121 22.9278 44.2847 44.2028 39.5125 19.4396 10.8289 19.1427 34.657 34.1885 45.1083 18.0083 18.2546 31.0752 28.6325 37.0188 33.0957 9.7203 32.5556 28.7891 40.942 30.2473 30.1632 22.7869 30.0056 24.4845 41.0841 22.9567 34.1699 18.6004 28.8237 30.6696 23.8308 40.703 41.2479 22.9567 33.2222 43.6446 17.9466 45.187 18.1461 18.1032 14.0872 18.9132 28.2206 37.2657 33.3426 48.025 32.1437 31.9838 41.1888 49.3356 26.8154 36.0767 41.0525 44.5699 40.875 37.8387 11.857 11.3564 22.0823 14.9819 31.4363 31.602 18.5796 13.651 44.842 12.9635 46.7699 13.3171 31.9966 48.3545 33.5098 29.2661 33.1892 30.6606 37.433 27.6839 26.91 38.7456 14.4 15.1282 34.8225 30.8331 33.4638 37.1123 22.482 42.6688 27.316 19.5456 38.3393 30.1244 34.7804 22.4191 8.663 20.5114 7.1831 31.1866 27.5285 20.7495 31.9803 13.0339 17.2838 11.6487 10.9491 11.9241 40.6102 41.4202 26.8367 26.2055 40.4682 40.905 36.5451 36.9819 30.7598 30.1286 25.9439 34.4819 34.0451 12.4665 44.3913 44.8281 26.9559 25.9345 39.6265 40.6478 21.8839 20.8335 31.1866 32.1166 15.2725 12.4665 23.1623 22.4437 28.5977 29.5146 24.88 24.6567 1.1085 1.3148 3.3332 1.6684 2.7514 3.4795 1.3852 0 0.8222 4.6676 3.2663 2.2853 12.0021 13.4628 8.2261 16.1501 9.0684 20.4667 6.986 18.3936 5.1494 15.7663 5.4564 11.9508 45.5531 48.9223 41.8714 52.604 38.5021 54.7144 34.8205 55.2582 32.0038 54.7659 31.916 58.839 8.4111 34.6152 15.4162 11.3034 13.4651 6.1476 19.1059 10.0633 20.357 4.7698 19.0265 13.4645 11.2601 15.8427 7.2314 19.6015 10.02 19.3442 6.8832 3.867 16.6806 12.7441 14.4628 9.2208 17.1017 8.1168 15.4505 13.2491 14.2234 13.622 5.0558 21.3318 21.3638 4.1716 7.9807 12.009 17.8856 18.083 4.9972 6.1272 16.6768 12.8636 2.1037 14.8521 6.6637 5.9549 4.9579 11.2443 45.6101 43.1044 50.1553 38.5592 54.4406 36.0534 55.9392 12.6725 12.4628 8.3289 15.1985 31.8172 8.7611 19.9652 52.4605 48.1792 45.5531 5.9913 52.604 41.1282 18.7043 55.4575 11.3317 13.461 38.5021 8.1233 16.4575 9.3758 20.9682 54.8514 4.0765 34.0773 7.0888 8.4482 17.4431 30.4334 4.9398 16.1715 11.0379 53.7878 45.5531 49.6655 42.6145 52.604 38.5021 47.5069 45.3257 5.359 52.3766 53.9712 40.456 57.7981 56.9132 35.5636 31.0093 15.3612 38.2747 57.027 54.3446 32.3172 32.9983 8.1005 51.6241 6.3233 58.0299 55.7441 9.7793 28.8812 11.5425 4.5895 7.616 32.8176 32.5038 12.3591 31.3282 59.914 44.5531 48.2532 41.2023 53.604 37.5021 54.0452 34.1513 56.1717 46.5531 49.5914 42.5405 51.604 20.2101 14.8603 9.734 1.5824 21.9097 39.5021 55.3835 13.6202 22.5478 61.3035 35.4896 30.2404 55.6649 0.0479 32.1083 59.648 54.558 18.9272 31.8992 54.9738 0 34.4073 43.9301 44.7799 51.8309 36.8791 57.4078 9.77 32.725 37.729 58.2345 59.5435 59.4268 61.6125 31.0924 8.7218 9.3616 31.107 50.3791 58.2512 7.4606 27.7878 6.2105 58.1746 30.002 3.3926 34.8231 35.5933 62.8913 33.6371 65.8913 31.4483 29.6882 31.7573 29.7927 35.2794 16.909 13.0254 12.3412 4.3871 20.6951 11.7854 19.9649 3.383 18.7447 2.1074 12.1258 5.6958 18.377 14.498 10.74 2.7776 22.0005 13.2579 20.4569 1.9891 45.3313 17.4737 43.1976 12.1154 50.2486 12.7187 19.6908 4.5824 38.2804 19.4766 55.8255 10.8753 36.1467 21.6306 57.6993 2.646 30.5572 0.5768 17.1638 50.7392 6.7277 11.7912 2.8532 28.6538 19.1969 13.1383 11.3139 3.0824 20.1866 11.8983 22.9138 10.3937 59.4617 0.9139 17.3449 5.0411 1.6942 7.4307 31.6962 9.2348 43.749 43.3787 50.4296 36.6981 57.2267 36.3278 59.3935 5.3338 7.6118 29.3982 49.0919 62.8913 5.9907 26.9218 59.8218 4.2586 43.568 41.9774 49.0284 36.517 57.0457 34.9265 60.5524 27.704 30.5372 47.8048 26.0557 64.3913 61.4691 31.0724 33.0361 33.6239 34.5749 36.2975 14.3314 11.4697 14.8649 6.645 19.6033 14.4376 10.8019 10.2296 14.4598 6.9556 15.2442 12.384 18.7953 14.1206 5.645 19.5504 20.4133 9.5618 11.1439 15.9147 12.2811 13.2555 20.4632 5.3376 20.1059 18.88 5.9704 11.0411 19.3785 5.7641 5.1035 17.4886 4.3615 18.4402 17.4868 18.4374 3.8642 13.6957 9.8072 14.9613 4.4534 2.9137 7.9072 17.8437 8.5671 2.9154 21.3301 12.9664 6.4346 13.8316 18.7508 12.2221 12.6273 5.4534 5.4594 14.7458 5.0543 6.4541 17.5748 12.9224 12.1337 5.7986 4.0824 20.3887 11.6823 20.9589 47.2281 44.687 51.738 40.1772 55.2496 17.4038 13.9973 11.4816 46.4191 3.5824 43.7735 50.8244 37.6361 21.6892 2.646 39.3682 54.3361 46.9191 44.5825 51.6334 12.7572 55.4392 39.8682 55.9187 36.7226 19.6552 55.1302 37.5316 18.1583 45.9191 43.6044 50.6553 33.1263 56.4392 38.8682 55.4187 2.9778 36.5534 32.8172 56.7482 32.3172 53.1186 19.6899 18.4869 13.8373 11.1388 53.3265 3.0824 21.1998 2.11 31.5082 12.5973 52.1241 21.2647 7.122 51.7174 30.6025 1.7799 1.1618 9.3151 46.4191 43.5656 50.6165 39.3682 53.47 31.1025 9.1088 29.6244 18.7461 11.1369 36.5147 54.1791 8.1145 7.7062 29.5198 58.1345 12.5293 33.405 57.3913 1.159 54.2401 59.0005 10.2279 58.7926 19.298 13.9453 10.7289 2.5824 10.929 21.0987 12.7052 6.4362 22.2421 32.097 0.9139 56.4132 31.7349 4.8353 18.3394 31.2349 32.7131 18.2848 12.2234 12.3088 4.0824 19.3755 10.9833 31.9041 22.6081 0.9511 6.0295 1.7799 45.7381 42.2031 49.254 16.7571 38.6871 55.2377 44.3368 43.7854 50.8363 35.1522 37.2859 56.82 9.9779 57.9072 36.7345 58.4424 29.814 2.6453 30.3493 5.9907 50.4302 60.3525 33.4562 50.0701 60.3525 6.3226 61.3035 9.4427 61.8913 28.6538 27.7878 6.6173 45.1503 41.7964 59.5435 48.8473 38.0993 55.6444 5.1246 34.7454 58.8582 60.4399 59.1527 28.863 44.1557 42.3842 49.4521 49.4351 37.1048 56.6389 8.0185 35.3332 59.6014 28.6551 27.7878 48.7829 32.4393 30.7451 61.109 4.2586 26.9218 60.8 5.1246 32.2314 63.3913 63.3913 31.2803 64.3913 64.8913 30.4972 31.4483 30.4972 32.0361 29.6882 33.6239 34.5749 35.3839 14.3628 10.8706 15.0244 7.2575 19.0503 14.5992 10.4651 10.7108 14.123 7.0537 15.8428 12.3504 18.3576 13.6001 5.9255 20.0329 20.8525 9.225 11.6644 16.1358 12.1217 12.7743 20.9826 4.8985 19.8254 18.6588 6.4529 10.8816 18.8579 5.5429 5.6228 17.5866 3.9721 19.0527 17.5828 19.0496 4.4764 14.1849 13.4055 9.2494 9.977 15.4355 15.4369 4.7358 2.3618 7.9925 8.5268 17.3544 18.1338 8.0094 8.737 2.3625 21.5412 21.9409 12.388 6.8154 6.9825 14.3127 19.2977 19.1334 11.8311 12.9641 5.3447 6.0357 4.8403 14.8948 15.3644 16.0398 13.7866 13.7212 5.307 21.8253 4.8948 12.5465 7.0533 17.6344 5.2201 4.4304 47.6665 44.6546 52.258 40.6156 55.8485 17.1497 14.2475 11.4189 45.8667 43.1746 16.7406 3.5824 50.2256 38.1561 22.0519 38.8157 53.8161 46.6376 45.1613 52.2123 13.0074 55.7207 40.4805 56.2564 36.1237 19.0649 55.0332 37.3711 46.2006 43.9946 51.0455 33.2233 57.0516 38.2558 55.0285 3.2878 35.9343 1.5377 32.5358 56.8452 31.7648 53.7175 20.1915 53.359 31.4112 52.4618 51.5569 6.5956 7.3532 31.2217 11.0538 0.9702 9.3464 46.6312 47.0297 44.1852 43.6519 51.2361 50.7028 39.5802 39.9788 53.8686 53.0715 31.3247 9.7074 29.7848 37.1343 36.601 54.0928 53.5595 7.4953 7.5447 28.9999 13.2787 12.1537 7.8267 15.0685 58.6544 8.1548 20.2743 13.1358 33.8357 33.919 57.0012 54.8586 54.3901 59.4823 5.7381 9.8803 10.6731 18.2902 59.3915 3.8859 4.3498 32.0538 32.6986 15.8062 56.6454 55.8874 32.1251 47.2547 45.9153 52.9662 4.2689 40.2038 57.1654 38.8644 30.8973 33.2919 56.7748 18.2221 11.7231 12.6715 4.3924 18.81 10.483 31.3052 19.6997 13.2053 32.8542 11.0598 2.7724 20.1239 23.0245 11.9652 23.5198 51.9341 1.7799 6.8597 0.377 46.3547 41.8387 48.8896 16.1405 39.3037 54.6211 34.7878 17.0927 57.4464 29.0101 9.5887 10.9257 7.9269 29.9429 3.106 1.5653 50.8451 60.4495 32.9677 33.7473 60.4156 59.8 6.6326 61.9159 8.9819 62.1728 29.1907 8.6451 44.2431 48.4448 41.3939 53.914 37.1921 53.4388 45.4024 41.1798 59.2717 58.9475 48.2307 38.3515 55.28 34.3429 56.6733 34.1288 58.9872 60.6315 28.4022 29.876 32.6747 49.2605 8.6351 55.0187 7.9762 27.7878 33.029 61.7154 33.2914 58.9771 60.0434 61.1977 9.3285 9.8231 5.1246 3.7217 42.9514 43.8201 41.3608 42.3419 48.4118 49.3928 35.9004 36.7692 32.6921 56.6812 57.6623 63.0813 34.3099 35.2909 60.6814 61.0132 27.2433 27.5751 47.6132 47.3899 26.0557 25.5188 64.7013 64.7013 61.2775 62.0756 35.4128 36.0082 30.4828 31.5332 30.5942 32.0607 30.5942 32.3176 29.4164 29.0922 29.1218 31.3425 33.4323 29.2912 36.7991 36.3623 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 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521 522 524 525 526 528 529 532 527 535 523 192 194 288 543 533 534 536 537 538 548 540 541 547 542 544 549 552 550 555 556 557 213 214 562 307 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 23900 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 218 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 86 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 155 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371F07FFE03800000000000000000000000000162C58B1620408102000000004001FE00001E0018082000081CE1970605B017CC1710AA412777748090802F1792A01D5081B8545083580A40C8201E40880F1F22D300E0F030020000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-2-[[[5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] [5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,2,4-triazole-3-carboxamide;[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)tetrahydrofuran-2-yl]methyl [4-hydroxy-5-(6-oxo-1H-purin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[5-(4-amino-2-oxo-1-pyrimidinyl)-2-[[[5-(4-amino-2-oxo-1-pyrimidinyl)-4-hydroxy-2-(phosphonooxymethyl)-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxy-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxy-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxy-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxy-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxy-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxy-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxy-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxy-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxy-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxy-3-oxolanyl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxy-3-oxolanyl] [5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl hydrogen phosphate;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1,2,4-triazole-3-carboxamide;[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)-2-oxolanyl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)-2-oxolanyl]methyl [4-hydroxy-5-(6-oxo-1H-purin-9-yl)-2-(phosphonooxymethyl)-3-oxolanyl] hydrogen phosphate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] [5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;1-[(2<I>R</I>,3<I>R</I>,4<I>S</I>,5<I>R</I>)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide;[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3,4-dihydroxy-5-(6-oxo-1<I>H</I>-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1<I>H</I>-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1<I>H</I>-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1<I>H</I>-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1<I>H</I>-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1<I>H</I>-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1<I>H</I>-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1<I>H</I>-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1<I>H</I>-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1<I>H</I>-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1<I>H</I>-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1<I>H</I>-purin-9-yl)oxolan-2-yl]methyl [4-hydroxy-5-(6-oxo-1<I>H</I>-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] [5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide;[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl [4-hydroxy-5-(6-oxo-1H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-oxidanyl-2-(phosphonooxymethyl)oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-oxidanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl] [5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate;[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3,4-bis(oxidanyl)-5-(6-oxidanylidene-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-5-(6-oxidanylidene-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-5-(6-oxidanylidene-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-5-(6-oxidanylidene-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-5-(6-oxidanylidene-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-5-(6-oxidanylidene-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-5-(6-oxidanylidene-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-5-(6-oxidanylidene-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-5-(6-oxidanylidene-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-5-(6-oxidanylidene-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-5-(6-oxidanylidene-1H-purin-9-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-4-oxidanyl-5-(6-oxidanylidene-1H-purin-9-yl)oxolan-2-yl]methyl [4-oxidanyl-5-(6-oxidanylidene-1H-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate;1-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[5-(4-amino-2-keto-pyrimidin-1-yl)-2-[[[5-(4-amino-2-keto-pyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] [5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate;[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3-[[3,4-dihydroxy-5-(6-keto-1H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-5-(6-keto-1H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-5-(6-keto-1H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-5-(6-keto-1H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-5-(6-keto-1H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-5-(6-keto-1H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-5-(6-keto-1H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-5-(6-keto-1H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-5-(6-keto-1H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-5-(6-keto-1H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-5-(6-keto-1H-purin-9-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-4-hydroxy-5-(6-keto-1H-purin-9-yl)tetrahydrofuran-2-yl]methyl [4-hydroxy-5-(6-keto-1H-purin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate;1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-1,2,4-triazole-3-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C130H145N52O92P13.C117H157N38O93P13.C8H12N4O5/c183-66-40(250-118(67(66)184)170-27-157-53-92(170)131-14-144-105(53)197)1-238-276(213,214)264-81-42(252-120(69(81)186)172-29-159-55-94(172)133-16-146-107(55)199)3-240-278(217,218)266-83-44(254-122(71(83)188)174-31-161-57-96(174)135-18-148-109(57)201)5-242-280(221,222)268-85-46(256-124(73(85)190)176-33-163-59-98(176)137-20-150-111(59)203)7-244-282(225,226)270-87-48(258-126(75(87)192)178-35-165-61-100(178)139-22-152-113(61)205)9-246-284(229,230)272-89-50(260-128(77(89)194)180-37-167-63-102(180)141-24-154-115(63)207)11-248-286(233,234)274-91-52(262-130(79(91)196)182-39-169-65-104(182)143-26-156-117(65)209)13-249-287(235,236)273-90-51(261-129(78(90)195)181-38-168-64-103(181)142-25-155-116(64)208)12-247-285(231,232)271-88-49(259-127(76(88)193)179-36-166-62-101(179)140-23-153-114(62)206)10-245-283(227,228)269-86-47(257-125(74(86)191)177-34-164-60-99(177)138-21-151-112(60)204)8-243-281(223,224)267-84-45(255-123(72(84)189)175-32-162-58-97(175)136-19-149-110(58)202)6-241-279(219,220)265-82-43(253-121(70(82)187)173-30-160-56-95(173)134-17-147-108(56)200)4-239-277(215,216)263-80-41(2-237-275(210,211)212)251-119(68(80)185)171-28-158-54-93(171)132-15-145-106(54)198;118-53-1-14-143(105(171)130-53)93-68(159)80(41(225-93)28-211-249(184,185)186)237-251(189,190)213-30-43-82(70(161)95(227-43)145-16-3-55(120)132-107(145)173)239-253(193,194)215-32-45-84(72(163)97(229-45)147-18-5-57(122)134-109(147)175)241-255(197,198)217-34-47-86(74(165)99(231-47)149-20-7-59(124)136-111(149)177)243-257(201,202)219-36-49-88(76(167)101(233-49)151-22-9-61(126)138-113(151)179)245-259(205,206)221-38-51-90(78(169)103(235-51)153-24-11-63(128)140-115(153)181)247-261(209,210)223-39-52-91(79(170)104(236-52)154-25-12-64(129)141-116(154)182)248-260(207,208)222-37-50-89(77(168)102(234-50)152-23-10-62(127)139-114(152)180)246-258(203,204)220-35-48-87(75(166)100(232-48)150-21-8-60(125)137-112(150)178)244-256(199,200)218-33-46-85(73(164)98(230-46)148-19-6-58(123)135-110(148)176)242-254(195,196)216-31-44-83(71(162)96(228-44)146-17-4-56(121)133-108(146)174)240-252(191,192)214-29-42-81(69(160)94(226-42)144-15-2-54(119)131-106(144)172)238-250(187,188)212-27-40-66(157)67(158)92(224-40)155-26-13-65(156)142-117(155)183;9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h14-52,66-91,118-130,183-196H,1-13H2,(H,213,214)(H,215,216)(H,217,218)(H,219,220)(H,221,222)(H,223,224)(H,225,226)(H,227,228)(H,229,230)(H,231,232)(H,233,234)(H,235,236)(H,131,144,197)(H,132,145,198)(H,133,146,199)(H,134,147,200)(H,135,148,201)(H,136,149,202)(H,137,150,203)(H,138,151,204)(H,139,152,205)(H,140,153,206)(H,141,154,207)(H,142,155,208)(H,143,156,209)(H2,210,211,212);1-26,40-52,66-104,157-170H,27-39H2,(H,187,188)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,207,208)(H,209,210)(H2,118,130,171)(H2,119,131,172)(H2,120,132,173)(H2,121,133,174)(H2,122,134,175)(H2,123,135,176)(H2,124,136,177)(H2,125,137,178)(H2,126,138,179)(H2,127,139,180)(H2,128,140,181)(H2,129,141,182)(H,142,156,183)(H2,184,185,186);2-5,8,13-15H,1H2,(H2,9,16)/t;;3-,4-,5-,8-/m..1/s1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ROZOHOVKZFLRFO-DJKZPLAASA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 8539.1043157 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C255H314N94O190P26 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 8541 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)OP(=O)(O)OCC5C(C(C(O5)N6C=CC(=NC6=O)N)O)OP(=O)(O)OCC7C(C(C(O7)N8C=CC(=NC8=O)N)O)OP(=O)(O)OCC9C(C(C(O9)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)O)O.C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)(O)OC4C(OC(C4O)N5C=NC6=C5N=CNC6=O)COP(=O)(O)OC7C(OC(C7O)N8C=NC9=C8N=CNC9=O)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=CNC2=O)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=CNC2=O)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=CNC2=O)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=CNC2=O)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=CNC2=O)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=CNC2=O)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=CNC2=O)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=CNC2=O)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=CNC2=O)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=CNC2=O)COP(=O)(O)O)O)O.C1=NC(=NN1C2C(C(C(O2)CO)O)O)C(=O)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)OP(=O)(O)OCC5C(C(C(O5)N6C=CC(=NC6=O)N)O)OP(=O)(O)OCC7C(C(C(O7)N8C=CC(=NC8=O)N)O)OP(=O)(O)OCC9C(C(C(O9)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=O)NC1=O)O)O)O.C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COP(=O)(O)OC4C(OC(C4O)N5C=NC6=C5N=CNC6=O)COP(=O)(O)OC7C(OC(C7O)N8C=NC9=C8N=CNC9=O)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=CNC2=O)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=CNC2=O)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=CNC2=O)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=CNC2=O)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=CNC2=O)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=CNC2=O)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=CNC2=O)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=CNC2=O)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=CNC2=O)COP(=O)(O)OC1C(OC(C1O)N1C=NC2=C1N=CNC2=O)COP(=O)(O)O)O)O.C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3950 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 8537.0976060 565 108 4 104 0 0 0 0 3 -1