5287565 -OEChem-12072113033D 16 17 0 0 0 0 0 0 0999 V2000 1.2619 1.3402 -0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1719 -1.8775 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0302 -0.3059 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6933 2.0641 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6501 -0.7992 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1902 0.7520 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 -0.7378 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4143 0.5952 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4773 -1.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2253 2.3503 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7556 -1.5694 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 1.0807 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 -2.3671 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0676 2.8579 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6944 2.2061 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 10 2 0 0 0 0 3 7 2 0 0 0 0 3 10 1 0 0 0 0 4 7 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 M END > DB03506 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YRVFQPBPZCRUDX-UHFFFAOYSA-N/SDF?record_type=3d > NC1=NC=NC2=C1NC=C2 > InChI=1S/C6H6N4/c7-6-5-4(1-2-8-5)9-3-10-6/h1-3,8H,(H2,7,9,10) > YRVFQPBPZCRUDX-UHFFFAOYSA-N > C6H6N4 > 134.1386 > 134.059246212 > 3 > 16 > 0.0992440759339783 > 12.93107269541169 > 1 > 2 > 0 > 0 > 5H-pyrrolo[3,2-d]pyrimidin-4-amine > 0.03 > 0.29987935066666666 > -1.26 > 0 > 0 > 2 > 0 > 13.996768668807327 > 5.087303873510724 > 67.59 > 38.4507 > 0 > 1 > 7.29e+00 g/l > formic acid > 0 $$$$