5394 -OEChem-02252115143D 20 21 0 0 0 0 0 0 0999 V2000 2.6498 1.6852 0.0032 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8126 -1.6976 0.0114 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5864 0.7933 0.0007 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3381 -0.6593 -0.0007 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4685 1.6448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2231 -1.5299 -0.0024 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 -1.7251 -0.0024 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9618 0.2869 -0.0043 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2632 -0.2747 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5254 0.2747 -0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9626 0.6761 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1841 1.9271 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7590 -0.9581 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7644 -0.4433 -0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2405 2.9218 0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3703 -0.0519 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9908 -1.5450 -0.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9908 -1.5476 0.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9720 1.3019 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8601 -0.1847 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 14 2 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 5 10 1 0 0 0 0 5 12 2 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 8 14 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 10 2 0 0 0 0 10 14 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 M END > DB00853 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BPEGJWRSRHCHSN-UHFFFAOYSA-N/SDF?record_type=3d > CN1N=NC2=C(N=CN2C1=O)C(N)=O > InChI=1S/C6H6N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2H,1H3,(H2,7,13) > BPEGJWRSRHCHSN-UHFFFAOYSA-N > C6H6N6O2 > 194.1508 > 194.055223466 > 5 > 20 > -0.00034645335173097387 > 16.875955761195197 > 1 > 1 > 0 > 1 > 3-methyl-4-oxo-3H,4H-imidazo[4,3-d][1,2,3,5]tetrazine-8-carboxamide > -0.2825381519999997 > 0 > 0 > 2 > 0 > 10.460204717047635 > -3.61910195378457 > 105.94 > 47.8609 > 1 > 1 > N-demethyldiltiazem > 0 $$$$