5288579 -OEChem-12161918313D 33 35 0 1 0 0 0 0 0999 V2000 -2.1927 -0.4529 1.0287 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8594 2.3122 -0.8248 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3824 2.1719 0.2013 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7109 -2.5571 -0.0366 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4513 -1.3753 -0.6575 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1136 -0.3492 0.6613 N 0 0 1 0 0 0 0 0 0 0 0 0 1.6226 -2.0202 -0.0556 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7441 1.5076 0.5372 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9738 0.8388 -0.1500 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0993 0.4173 0.6939 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4333 1.0326 -0.6541 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9460 1.0821 -0.6107 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2868 -0.2111 0.1171 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2113 -1.7360 0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4042 -1.4118 -0.8121 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3757 0.2226 0.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2401 -0.7778 -0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5406 -0.4336 -0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0418 1.7400 0.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0317 1.1790 1.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1032 0.3953 -1.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 1.1898 -1.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1917 -0.1233 0.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3491 -1.8819 -0.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1775 -2.4217 0.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4759 -1.6099 -1.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2094 -1.2582 -1.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9545 -2.7881 -0.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1956 2.8896 -0.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3540 2.1413 0.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7897 -3.3068 -0.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3785 2.7658 0.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2908 -0.8974 -0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 11 1 0 0 0 0 2 29 1 0 0 0 0 3 12 1 0 0 0 0 3 30 1 0 0 0 0 4 15 1 0 0 0 0 4 31 1 0 0 0 0 5 18 1 0 0 0 0 5 33 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 7 28 1 0 0 0 0 8 16 1 0 0 0 0 8 19 2 0 0 0 0 9 18 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 19 32 1 0 0 0 0 M END > DB02472 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZWTNXGIZBOQCAJ-KQYNXXCUSA-N/SDF?record_type=3d > [H]N1CN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1C(=O)N=CN2[H] > InChI=1S/C10H14N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2,4,6-7,10,13,15-17H,1,3H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1 > ZWTNXGIZBOQCAJ-KQYNXXCUSA-N > C10H14N4O5 > 270.242 > 270.096419578 > 9 > 33 > -2.4170602576917035e-05 > 25.391832387617477 > 1 > 5 > 0 > 0 > 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,7,8,9-tetrahydro-3H-purin-6-one > -2.18 > -2.88083307 > -1.30 > 0 > 0 > 3 > 0 > 12.694422788453974 > 11.602511127856737 > 1.5100606704221784 > 126.65 > 70.6041 > 2 > 1 > 1.35e+01 g/l > cysteine hcl > 0 $$$$