69323431 -OEChem-04232402562D 64 69 0 1 0 0 0 0 0999 V2000 8.8374 0.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1834 -1.0087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1872 1.1669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7897 2.5848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1131 -1.6774 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0704 1.2608 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1131 -3.2868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3009 -1.4821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4349 -2.9821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4862 -0.2797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6553 -1.8888 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9862 -1.1457 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4012 2.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3754 -0.4195 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3771 0.5805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4238 -0.7268 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4266 0.8912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6091 2.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 1.8995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 3.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1192 1.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1669 -1.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0485 1.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6968 -2.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1669 -2.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9996 1.1597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2075 0.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8406 2.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4349 -1.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3009 -3.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4643 -0.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7427 1.8288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5688 -1.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5837 3.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5348 2.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0001 2.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2774 -1.0317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9291 0.2981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8113 -0.8228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8144 0.9892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1988 2.7905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8613 3.5485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8170 1.7079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5356 1.2930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1075 3.9837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2824 3.8970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 3.3146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 2.5031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8788 0.6711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7384 2.3320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5713 1.5526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7502 -0.7575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7531 0.9138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3168 -2.4821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5360 -0.3442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7823 0.4138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5991 3.1748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2509 2.6385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3009 -4.1021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3324 1.6372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4548 3.7224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9955 3.2218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3696 -1.2105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 14 2 1 1 0 0 0 2 53 1 0 0 0 0 15 3 1 1 0 0 0 3 54 1 0 0 0 0 4 22 1 0 0 0 0 4 58 1 0 0 0 0 5 16 1 0 0 0 0 5 23 1 0 0 0 0 5 25 1 0 0 0 0 6 13 1 0 0 0 0 6 24 1 0 0 0 0 6 50 1 0 0 0 0 7 25 2 0 0 0 0 7 26 1 0 0 0 0 8 23 2 0 0 0 0 8 30 1 0 0 0 0 9 30 2 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 2 0 0 0 0 11 12 1 0 0 0 0 11 34 2 0 0 0 0 12 64 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 17 22 1 6 0 0 0 17 41 1 0 0 0 0 18 20 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 26 1 0 0 0 0 24 27 1 0 0 0 0 24 29 2 0 0 0 0 25 55 1 0 0 0 0 26 31 2 0 0 0 0 27 28 1 0 0 0 0 27 33 2 0 0 0 0 28 32 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 35 1 0 0 0 0 29 59 1 0 0 0 0 30 34 1 0 0 0 0 31 60 1 0 0 0 0 32 34 1 0 0 0 0 33 36 1 0 0 0 0 33 61 1 0 0 0 0 35 36 2 0 0 0 0 35 62 1 0 0 0 0 36 63 1 0 0 0 0 M END > 69323431 > 1 > 732 > 10 > 5 > 7 > AAADceB7+AAAAAAAAAAAAAAAAAAAAeLEiAA8QAAAAAAAAFgB/gAAHgAYCAAADDzhnwY98L/OFgCiAzZnZACChC0xEqAZ+KA4dJiLeKLA2dGeZAhvkALbyCfwsIIOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA== > (3R,4S,5R)-2-[2-[5-[[2-(cyclopentylamino)phenyl]methyl]-2H-triazol-4-yl]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol > (3R,4S,5R)-2-[2-[5-[[2-(cyclopentylamino)phenyl]methyl]-2H-triazol-4-yl]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol > (3R,4S,5R)-2-[2-[5-[[2-(cyclopentylamino)phenyl]methyl]-2H-triazol-4-yl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol > (3R,4S,5R)-2-[2-[5-[[2-(cyclopentylamino)phenyl]methyl]-2H-triazol-4-yl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol > (3R,4S,5R)-2-[2-[5-[[2-(cyclopentylamino)phenyl]methyl]-2H-1,2,3-triazol-4-yl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol > (3R,4S,5R)-2-[2-[5-[2-(cyclopentylamino)benzyl]-2H-triazol-4-yl]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol > InChI=1S/C24H28N8O4/c33-11-18-20(34)21(35)24(36-18)32-12-26-17-10-25-22(28-23(17)32)19-16(29-31-30-19)9-13-5-1-4-8-15(13)27-14-6-2-3-7-14/h1,4-5,8,10,12,14,18,20-21,24,27,33-35H,2-3,6-7,9,11H2,(H,29,30,31)/t18-,20-,21-,24?/m1/s1 > JBDYLZBYHZWTCA-BPOYXTRHSA-N > 1 > 492.22335140 > C24H28N8O4 > 492.5 > C1CCC(C1)NC2=CC=CC=C2CC3=NNN=C3C4=NC=C5C(=N4)N(C=N5)C6C(C(C(O6)CO)O)O > C1CCC(C1)NC2=CC=CC=C2CC3=NNN=C3C4=NC=C5C(=N4)N(C=N5)C6[C@@H]([C@@H]([C@H](O6)CO)O)O > 167 > 492.22335140 > 0 > 36 > 3 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 12 8 10 32 8 11 12 8 11 34 8 17 22 6 14 2 5 23 26 8 24 27 8 24 29 8 26 31 8 27 33 8 29 35 8 15 3 5 32 34 8 33 36 8 35 36 8 16 5 3 5 23 8 5 25 8 7 25 8 7 26 8 8 23 8 8 30 8 9 30 8 9 31 8 $$$$