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729 730 27.4459 28.0846 31.146 32.6394 34.2819 36.4783 30.5818 40.2596 24.9914 45.85 20.6456 47.5501 20.0069 48.1888 18.3068 52.7437 12.7164 56.5825 8.9351 58.3346 28.4459 28.7537 31.8151 32.5349 33.2819 37.2873 29.9127 40.3641 25.0959 45.1809 21.3147 48.5501 21.0069 48.858 17.6377 52.6391 12.8209 57.3915 9.7441 59.2482 26.4972 28.5029 29.4581 35.2306 35.4262 33.2249 37.2992 27.5799 42.8481 22.0191 48.4931 19.0582 46.6014 20.9499 49.5623 15.3048 28.4459 31.072 29.4969 33.2819 33.5294 30.6558 37.8751 26.0904 41.3587 22.0579 45.924 21.0069 48.5501 18.3808 49.6011 55.5305 13.8154 28.4459 28.0106 32.5583 31.5404 33.2819 36.6995 29.1695 39.3696 24.1014 44.4377 20.5716 48.5501 53.6337 9.756 21.0069 48.1148 16.8945 51.6446 10.3319 60.452 11.8264 56.8038 57.9793 29.4459 29.4228 32.4843 32.4304 32.2819 38.0963 29.2435 40.4687 25.2005 44.5118 21.9839 49.5501 22.0069 49.5271 16.9685 52.5346 6.574 12.9254 9.1563 59.6549 58.2006 24.8216 29.6254 26.5778 36.5441 36.3493 34.9049 36.3857 28.1526 43.4208 19.1388 50.1731 17.7447 44.9259 19.8274 10.5531 8.8341 49 12.4892 56.4535 7.1104 60.5565 60.1617 58.8414 4.7787 61.2843 62.9023 25.0027 28.2241 27.7368 36.7251 34.6172 33.5037 35.5196 26.4584 41.7266 20.2978 48.7719 17.5637 45.1069 21.2287 47.841 14.1834 54.7215 7.9764 61.4226 23.4204 28.0431 26.0426 38.1264 35.4832 35.086 34.6536 26.9936 42.2618 18.6036 50.3542 16.1624 43.5246 21.4097 47.3058 13.0244 5.3139 55.5875 6.2444 22.0191 26.4608 25.5073 39.7087 34.6172 35.267 32.9216 25.8347 41.1029 18.0684 50.5352 14.5801 42.1233 22.992 62.2886 45.6116 13.5597 54.7215 5.3784 3.6197 64.0206 2.4608 27.5799 30.1209 29.2889 34.1479 34.1172 31.6069 37.4684 26.4972 41.7654 21.85 46.8751 20.1409 27.4753 29.3119 29.9581 34.2525 35.1172 32.4159 37.9684 27.4753 42.7435 47.6841 22.5191 47.6841 20.0364 19.3319 47.5796 26.6663 29.8119 28.3754 35.0615 33.8082 31.9159 36.4902 20.1409 25.9972 41.2654 20.9364 47.1841 49.3932 19.2273 46.7706 25.9972 28.8119 28.4799 35.7306 34.6172 32.9159 36.3857 26.6663 41.9345 21.041 50.0623 48.1841 19.6409 18.5582 46.1014 14.2222 48.4796 20.6409 15.2003 48.5842 13.7222 54.2215 14.3913 55.2215 28.2185 29.3119 30.9526 33.5093 35.705 32.4159 38.9629 28.2185 43.4867 23.5136 47.6841 53.9124 20.7795 48.3227 20.1409 54.7215 51.0568 9.9251 10.4251 15.9435 8.947 8.8425 55.8092 58.9739 11.4197 59.4739 59.643 60.5565 24.5959 27.2296 27.9447 37.3129 33.7512 33.0969 34.6536 25.5073 40.7756 20.5057 48.3652 16.9759 44.7002 24.4149 28.6309 26.7857 37.1319 35.4832 34.4982 35.5196 27.2015 42.4698 19.3467 49.7664 17.1569 22.2232 44.5191 20.8219 46.89 59.0671 48.0489 14.9265 7.574 13.2323 7.883 53.8554 55.5875 7.074 6.265 8.1618 23.6014 26.6418 27.2015 38.3075 33.7512 33.6847 33.7876 25.2994 40.5676 19.7626 48.9529 15.9814 43.7056 7.9764 22.811 7.1104 46.1468 14.7186 23.0136 27.0486 26.2505 38.7142 34.6172 34.6793 33.7876 26.0426 41.3108 18.8115 49.9475 15.5746 43.1179 22.4042 53.8554 46.3547 62.2886 13.7676 61.4226 7.1104 54.7215 6.2444 63.1546 5.106 4.5708 63.1546 4.155 60.2662 3.4118 61.1798 61.9888 62.1979 62.3024 63.7114 63.2159 64.6249 63.3205 65.4339 64.234 66.3475 64.3385 67.1565 65.2521 68.07 65.3566 68.8791 66.2702 69.7926 66.3747 70.6016 67.2882 71.5152 67.3928 72.3242 68.3063 73.2377 68.4108 74.0467 69.3244 74.9603 75.7693 69.4289 76.6828 28.0998 30.5593 28.8071 34.1804 33.5048 31.5099 38.0875 26.8874 42.1556 22.4488 46.7781 20.1084 27.3149 28.7595 30.2958 34.4129 35.7296 32.9683 38.1905 28.0542 43.3224 48.2041 22.8568 48.2365 19.8759 19.2349 47.4191 26.1647 26.9763 29.7471 30.4184 27.7689 28.1838 34.7515 35.5631 33.4982 33.2418 31.3094 31.9807 20.6933 36.4254 35.8702 25.4956 25.5823 40.7638 40.8505 20.33 20.7448 46.5777 47.2489 48.9114 18.7257 19.5373 46.269 47.0806 25.6595 29.0934 27.9011 35.9528 35.1696 32.6344 36.4181 27.1481 41.3356 21.2014 50.4 48.7965 19.0344 19.7057 18.336 45.7638 13.603 47.8732 48.2881 20.3594 15.7791 48.0053 13.2206 13.3073 54.5029 13.7924 55.8338 28.547 28.7933 29.9225 29.524 30.7817 31.5098 33.9979 33.2183 35.1477 35.8759 32.2038 31.8053 39.5645 38.9196 28.5096 27.7299 43.7778 42.9981 23.3427 24.0709 47.4721 47.0735 53.6024 53.346 21.1081 21.3544 48.6513 48.8976 19.9288 19.5303 55.2739 50.8859 51.6141 10.5443 10.6473 16.2345 15.4549 8.8822 8.327 8.8749 55.252 55.9801 58.6362 12.0212 11.3764 59.864 59.1414 59.953 61.0765 24.9604 26.9774 28.5343 37.0608 33.2142 32.4803 34.6536 25.0466 40.3148 21.0954 47.7485 17.2281 45.0646 22.4754 46.7611 58.6364 58.5531 15.5162 7.2925 8.3214 53.3185 7.4888 6.6591 5.8266 29.7559 29.2313 32.2927 31.864 31.9719 38.0315 28.6371 41.0351 24.6989 44.7033 21.7923 49.8601 22.3169 7.6045 8.3327 50.1335 23.3492 26.0252 27.3305 38.6719 33.2142 33.4326 33.2507 24.7098 39.978 19.8915 48.7008 15.617 16.3621 43.4535 8.5134 23.4276 45.5572 53.0362 15.1794 13.4918 53.3185 62.2886 7.1104 58.1358 10.4883 9.2948 63.6915 21.7669 21.6547 26.7129 25.8442 24.9177 25.6363 39.9609 40.0731 34.0803 35.1541 35.0149 35.8836 32.3846 32.9216 25.245 26.2954 40.5132 41.5636 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150 150 151 151 152 152 153 153 154 154 155 155 156 156 157 157 158 158 159 159 160 160 161 161 162 162 163 163 164 164 165 165 166 166 167 167 168 168 169 169 170 170 171 171 172 172 173 173 174 174 175 175 176 176 177 177 178 178 179 179 180 180 181 181 196 196 201 201 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 238 243 246 247 248 249 250 251 252 253 254 255 256 257 259 260 261 263 264 265 267 268 269 285 287 288 291 293 295 297 298 299 300 301 302 303 304 305 306 307 308 309 310 323 326 329 330 332 333 336 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 354 355 370 372 375 378 379 382 385 298 311 299 312 300 313 301 314 302 315 303 316 304 317 305 318 306 319 307 320 308 321 309 322 310 324 323 325 326 328 329 331 333 334 351 353 372 374 311 356 312 357 313 358 314 359 315 360 316 361 317 362 318 363 319 364 320 365 321 366 322 367 324 368 325 369 328 371 331 373 379 380 334 376 353 377 374 381 380 384 57 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00000371F07FFE03F80000000000000000000000000122448912204081020000000000000000001E00100820000814E18006030003400710A800226674008000010002000800001800108110020080000E4000071602030001B0F0A20000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-amino-1-[5-[[[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)-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-[[2,3-dihexadecoxypropoxy(hydroxy)phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]pyrimidin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-amino-1-[5-[[[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)-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-[[2,3-dihexadecoxypropoxy(hydroxy)phosphinothioyl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxy-2-oxolanyl]-2-pyrimidinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-amino-1-[5-[[[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)-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-[[2,3-dihexadecoxypropoxy(hydroxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]pyrimidin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-amino-1-[5-[[[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)-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-[[2,3-dihexadecoxypropoxy(hydroxy)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]pyrimidin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-azanyl-1-[5-[[[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)-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-[[2,3-dihexadecoxypropoxy(oxidanyl)phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]-4-oxidanyl-oxolan-2-yl]pyrimidin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 4-amino-1-[5-[[[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)-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-[[2,3-dicetyloxypropoxy(hydroxy)thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-2-yl]pyrimidin-2-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C215H312N60O103P20S20/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-71-317-93-115(318-72-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)94-319-379(297,399)320-96-137-117(74-177(341-137)257-52-32-157(217)237-197(257)278)361-381(299,401)322-98-139-119(76-179(343-139)259-54-34-159(219)239-199(259)280)363-383(301,403)324-100-141-121(78-181(345-141)261-56-36-161(221)241-201(261)282)365-385(303,405)326-102-143-123(80-183(347-143)263-58-38-163(223)243-203(263)284)367-387(305,407)328-104-145-125(82-185(349-145)265-60-40-165(225)245-205(265)286)369-389(307,409)330-106-147-127(84-187(351-147)267-62-42-167(227)247-207(267)288)371-391(309,411)332-108-149-129(86-189(353-149)269-64-44-169(229)249-209(269)290)373-393(311,413)334-110-151-131(88-191(355-151)271-66-46-171(231)251-211(271)292)375-395(313,415)336-112-153-133(90-193(357-153)273-68-48-173(233)253-213(273)294)377-397(315,417)338-114-155-135(92-195(359-155)275-70-50-175(235)255-215(275)296)378-398(316,418)339-113-154-134(91-194(358-154)274-69-49-174(234)254-214(274)295)376-396(314,416)337-111-152-132(89-192(356-152)272-67-47-172(232)252-212(272)293)374-394(312,414)335-109-150-130(87-190(354-150)270-65-45-170(230)250-210(270)291)372-392(310,412)333-107-148-128(85-188(352-148)268-63-43-168(228)248-208(268)289)370-390(308,410)331-105-146-126(83-186(350-146)266-61-41-166(226)246-206(266)287)368-388(306,408)329-103-144-124(81-184(348-144)264-59-39-164(224)244-204(264)285)366-386(304,406)327-101-142-122(79-182(346-142)262-57-37-162(222)242-202(262)283)364-384(302,404)325-99-140-120(77-180(344-140)260-55-35-160(220)240-200(260)281)362-382(300,402)323-97-138-118(75-178(342-138)258-53-33-158(218)238-198(258)279)360-380(298,400)321-95-136-116(276)73-176(340-136)256-51-31-156(216)236-196(256)277/h31-70,115-155,176-195,276H,3-30,71-114H2,1-2H3,(H,297,399)(H,298,400)(H,299,401)(H,300,402)(H,301,403)(H,302,404)(H,303,405)(H,304,406)(H,305,407)(H,306,408)(H,307,409)(H,308,410)(H,309,411)(H,310,412)(H,311,413)(H,312,414)(H,313,415)(H,314,416)(H,315,417)(H,316,418)(H2,216,236,277)(H2,217,237,278)(H2,218,238,279)(H2,219,239,280)(H2,220,240,281)(H2,221,241,282)(H2,222,242,283)(H2,223,243,284)(H2,224,244,285)(H2,225,245,286)(H2,226,246,287)(H2,227,247,288)(H2,228,248,289)(H2,229,249,290)(H2,230,250,291)(H2,231,251,292)(H2,232,252,293)(H2,233,253,294)(H2,234,254,295)(H2,235,255,296) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 VKGNZVVLSKYNJK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 6643.0254291 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C215H312N60O103P20S20 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 6646 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCCCCCCCCCCCCCCOCC(COP(=S)(O)OCC1C(CC(O1)N2C=CC(=NC2=O)N)OP(=S)(O)OCC3C(CC(O3)N4C=CC(=NC4=O)N)OP(=S)(O)OCC5C(CC(O5)N6C=CC(=NC6=O)N)OP(=S)(O)OCC7C(CC(O7)N8C=CC(=NC8=O)N)OP(=S)(O)OCC9C(CC(O9)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O)OCCCCCCCCCCCCCCCC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCCCCCCCCCCCCCCOCC(COP(=S)(O)OCC1C(CC(O1)N2C=CC(=NC2=O)N)OP(=S)(O)OCC3C(CC(O3)N4C=CC(=NC4=O)N)OP(=S)(O)OCC5C(CC(O5)N6C=CC(=NC6=O)N)OP(=S)(O)OCC7C(CC(O7)N8C=CC(=NC8=O)N)OP(=S)(O)OCC9C(CC(O9)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O)OCCCCCCCCCCCCCCCC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2810 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 6641.0187194 418 61 0 61 0 0 0 0 1 -1