67777490 -OEChem-04242411262D 73 79 0 1 0 0 0 0 0999 V2000 14.6347 -0.0935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5996 -1.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5380 -2.6794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.4786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9740 0.1983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0764 -1.1410 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7690 2.5762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7690 0.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6656 -0.8865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1702 -2.9613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7882 -3.5792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.1324 -2.4869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2669 0.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8526 0.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5598 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5598 0.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8526 0.9054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9740 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9399 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6470 -0.2500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3526 1.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4906 -1.2377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3816 -1.6917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0887 -0.9846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3526 1.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8228 2.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5269 -2.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8228 1.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7787 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 2.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5143 -1.8690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9568 2.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0908 2.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9568 0.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 2.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 3.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0908 1.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1450 -2.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8008 -3.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6154 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9982 2.0509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1214 2.0509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1214 -0.2401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9982 -0.2401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 0.6934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9603 0.2948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8135 -0.4006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4124 1.1741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4124 2.0509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5356 2.0509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4478 0.8127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6779 1.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8386 0.3397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9353 1.9835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2450 2.3820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9890 -0.8732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8800 -2.0561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2803 -1.5742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5671 -2.3108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9616 3.1655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0562 -3.0695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6806 0.1747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1438 2.1567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9568 3.3914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9568 0.1514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 2.3522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4193 1.9138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5648 3.8978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8055 4.3362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5538 0.9614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5796 -4.3166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5234 -2.9680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3536 -1.9077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 24 1 0 0 0 0 22 2 1 1 0 0 0 2 59 1 0 0 0 0 23 3 1 1 0 0 0 3 61 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 13 1 0 0 0 0 5 19 1 0 0 0 0 5 47 1 0 0 0 0 24 6 1 1 0 0 0 6 27 1 0 0 0 0 6 29 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 7 60 1 0 0 0 0 8 25 2 0 0 0 0 8 28 1 0 0 0 0 9 29 2 0 0 0 0 9 31 1 0 0 0 0 10 27 2 0 0 0 0 10 39 1 0 0 0 0 11 38 1 0 0 0 0 11 39 2 0 0 0 0 12 38 1 0 0 0 0 12 72 1 0 0 0 0 12 73 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 21 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 20 19 1 1 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 22 1 0 0 0 0 20 53 1 0 0 0 0 21 25 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 23 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 57 1 0 0 0 0 24 58 1 0 0 0 0 26 28 2 0 0 0 0 26 32 1 0 0 0 0 27 31 1 0 0 0 0 28 34 1 0 0 0 0 29 62 1 0 0 0 0 30 33 1 0 0 0 0 30 35 1 0 0 0 0 30 36 1 0 0 0 0 30 63 1 0 0 0 0 31 38 2 0 0 0 0 32 33 2 0 0 0 0 32 64 1 0 0 0 0 33 37 1 0 0 0 0 34 37 2 0 0 0 0 34 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 37 70 1 0 0 0 0 39 71 1 0 0 0 0 M END > 67777490 > 1 > 862 > 10 > 5 > 8 > AAADcfB7+AAAAAAAAAAAAAAAAABogWLEgAA8QAAAAAAAAFgB/gAAHgAQCAAADZzhnwY38L/NlgCgAyZjZACCgC2xEqAJ2aA4dJiLeKLA2dGfZAhv0APbyCew0OMOiAAAQAAAACAQAACAAAAAQAAAAAAAAA== > (2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[1-methyl-3-[2-[6-(oxetan-3-yl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]tetrahydrofuran-3,4-diol > (2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[1-methyl-3-[2-[6-(3-oxetanyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]oxolane-3,4-diol > (2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[1-methyl-3-[2-[6-(oxetan-3-yl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]oxolane-3,4-diol > (2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[1-methyl-3-[2-[6-(oxetan-3-yl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]oxolane-3,4-diol > (2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[1-methyl-3-[2-[6-(oxetan-3-yl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]oxolane-3,4-diol > (2R,3S,4R,5R)-2-adenin-9-yl-5-[[[1-methyl-3-[2-[6-(oxetan-3-yl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]tetrahydrofuran-3,4-diol > InChI=1S/C27H34N8O4/c1-27(7-14(8-27)2-5-20-33-17-4-3-15(6-18(17)34-20)16-10-38-11-16)32-9-19-22(36)23(37)26(39-19)35-13-31-21-24(28)29-12-30-25(21)35/h3-4,6,12-14,16,19,22-23,26,32,36-37H,2,5,7-11H2,1H3,(H,33,34)(H2,28,29,30)/t14?,19-,22+,23+,26-,27?/m1/s1 > XOGGDNORKLMNMU-NQHQGUGTSA-N > 1.2 > 534.27030160 > C27H34N8O4 > 534.6 > CC1(CC(C1)CCC2=NC3=C(N2)C=C(C=C3)C4COC4)NCC5C(C(C(O5)N6C=NC7=C(N=CN=C76)N)O)O > CC1(CC(C1)CCC2=NC3=C(N2)C=C(C=C3)C4COC4)NC[C@@H]5[C@@H]([C@@H]([C@@H](O5)N6C=NC7=C(N=CN=C76)N)O)O > 169 > 534.27030160 > 0 > 39 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 27 8 10 39 8 11 38 8 11 39 8 20 19 5 22 2 5 26 28 8 26 32 8 27 31 8 28 34 8 23 3 5 31 38 8 32 33 8 33 37 8 34 37 8 24 6 5 6 27 8 6 29 8 7 25 8 7 26 8 8 25 8 8 28 8 9 29 8 9 31 8 $$$$