84894 -OEChem-11101915053D 22 22 0 0 0 0 0 0 0999 V2000 -2.0834 -0.1620 -0.1801 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -1.8653 0.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6178 1.9846 0.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9162 -1.1436 0.1462 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3964 1.1132 -0.3236 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1197 -0.4765 -0.2566 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 0.4344 0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 -0.9676 0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2793 0.8675 0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 1.3498 -0.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4882 0.1088 -0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8022 -0.1151 -0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2428 -1.1284 -0.5736 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2914 -2.0796 0.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7761 2.3888 -0.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7764 0.3762 0.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7205 0.9420 -0.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3225 -0.9564 -0.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9517 -1.4185 -1.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0056 -1.9750 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4170 -1.4366 -0.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8364 0.2077 -0.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 8 2 0 0 0 0 3 9 2 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 5 10 1 0 0 0 0 5 12 2 0 0 0 0 6 12 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 M END > DB06906 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HRRHGLKNOJHIGY-UHFFFAOYSA-N/SDF?record_type=3d > CCOC(=O)C1=CN=C(N)N=C1O > InChI=1S/C7H9N3O3/c1-2-13-6(12)4-3-9-7(8)10-5(4)11/h3H,2H2,1H3,(H3,8,9,10,11) > HRRHGLKNOJHIGY-UHFFFAOYSA-N > C7H9N3O3 > 183.1647 > 183.064391169 > 5 > 22 > 17.325044967973884 > 1 > 2 > 0 > 1 > ethyl 2-amino-4-hydroxypyrimidine-5-carboxylate > 0.38 > 1.2007726509999999 > -1.05 > 0 > 1 > 0 > 15.920922987441518 > 12.600257627393773 > 1.9128379369704716 > 98.33 > 46.437000000000005 > 3 > 1 > 1.62e+01 g/l > [(2R,3R,4S,5S)-3,4-dihydroxy-5-{4-oxo-1H,5H-pyrrolo[3,2-d]pyrimidin-7-yl}pyrrolidin-2-yl]methoxyphosphonic acid > 0 $$$$