2723601 -OEChem-10051719133D 16 17 0 0 0 0 0 0 0999 V2000 -0.1376 3.0286 -0.0004 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6932 -1.4514 -0.0011 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0508 0.6347 0.0006 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7267 -1.5747 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6595 0.7670 0.0004 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9771 -1.1717 0.0009 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6927 0.4572 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5377 -0.9093 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4126 1.3780 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7532 -0.5469 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6254 -0.6115 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8664 -2.4511 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5409 1.5194 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -0.7436 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0556 -2.1827 0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8387 -0.6367 0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 4 8 1 0 0 0 0 4 11 2 0 0 0 0 5 9 1 0 0 0 0 5 10 2 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 11 14 1 0 0 0 0 M END > DB00352 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WYWHKKSPHMUBEB-UHFFFAOYSA-N/SDF?record_type=3d > NC1=NC(=S)C2=C(N1)N=CN2 > InChI=1S/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11) > WYWHKKSPHMUBEB-UHFFFAOYSA-N > C5H5N5S > 167.192 > 167.026565875 > 4 > 16 > 0.0032209645942215728 > 15.64558088462347 > 1 > 3 > 0 > 0 > 2-amino-6,7-dihydro-3H-purine-6-thione > -0.36 > -0.34946934999999996 > -2.30 > 0 > 0 > 2 > 0 > 15.17176928976736 > 10.813251025755159 > 4.540379753663812 > 79.09 > 46.891999999999996 > 0 > 1 > 8.34e-01 g/l > biotin > 0 $$$$