3-methyl-7-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-methyl-7-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-methyl-7-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-methyl-7-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-methyl-7-[4-(6-nitropyridin-3-yl)piperazine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-methyl-7-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C19H18N6O4S MolecularWeight: 426.44902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-])NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-])NC1=S

InChI

InChI=1S/C19H18N6O4S/c1-22-18(27)14-4-2-12(10-15(14)21-19(22)30)17(26)24-8-6-23(7-9-24)13-3-5-16(20-11-13)25(28)29/h2-5,10-11H,6-9H2,1H3,(H,21,30)