24867503 -OEChem-03282418002D 38 40 0 1 0 0 0 0 0999 V2000 5.9405 0.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 1.4002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 3.1580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6495 3.4768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.3621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6651 2.0738 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.9716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1668 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4026 1.3984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 0.5884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 2.2064 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9422 1.8958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7523 2.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4752 2.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3880 2.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 1.9513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 0.1492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 2.6441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 1.6133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 1.9376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0781 3.2880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.1668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7289 1.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8227 3.1736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0299 3.0917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.3569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1348 1.6859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9540 1.9988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6412 2.8179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.4768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.4768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 11 2 1 6 0 0 0 2 27 1 0 0 0 0 13 3 1 1 0 0 0 3 28 1 0 0 0 0 4 15 2 0 0 0 0 12 5 1 1 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 15 1 0 0 0 0 6 19 1 0 0 0 0 6 30 1 0 0 0 0 7 17 2 0 0 0 0 7 18 1 0 0 0 0 8 16 2 0 0 0 0 8 21 1 0 0 0 0 9 20 1 0 0 0 0 9 21 2 0 0 0 0 10 20 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 15 1 1 0 0 0 14 26 1 0 0 0 0 16 18 1 0 0 0 0 17 29 1 0 0 0 0 18 20 2 0 0 0 0 19 22 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 M END > 24867503 > 1 > 426 > 8 > 4 > 3 > AAADceBzuAAAAAAAAAAAAAAAAAAAAWJAAAAsAAAAAAAAAFgB+AAAHgAQCAAACBzhlwYH8L/MFgCoAQdxdAKAgC0REKABUKFoVBCDWBZAyEQfRAgPNgLTACC6FQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide > (2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide > (2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide > (2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide > (2S,3R,4R,5R)-5-(6-aminopurin-9-yl)-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide > (2S,3R,4R,5R)-5-adenin-9-yl-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide > InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7-,8+,12-/m1/s1 > JADDQZYHOWSFJD-HZLHGAJGSA-N > -0.7 > 308.12330301 > C12H16N6O4 > 308.29 > CCNC(=O)C1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O > CCNC(=O)[C@@H]1[C@@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O > 148 > 308.12330301 > 0 > 22 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 15 5 16 18 8 18 20 8 11 2 6 13 3 5 12 5 5 5 16 8 5 17 8 7 17 8 7 18 8 8 16 8 8 21 8 9 20 8 9 21 8 $$$$