6,7-dimethoxy-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[(4-oxo-1H-quinazolin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[(4-oxo-1H-quinazolin-2-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[(4-oxo-1H-quinazolin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(4-keto-1H-quinazolin-2-yl)thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C19H16N4O4S MolecularWeight: 396.41974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NC(=O)C4=CC=CC=C4N3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NC(=O)C4=CC=CC=C4N3)OC

InChI

InChI=1S/C19H16N4O4S/c1-26-14-7-11-13(8-15(14)27-2)20-16(22-18(11)25)9-28-19-21-12-6-4-3-5-10(12)17(24)23-19/h3-8H,9H2,1-2H3,(H,20,22,25)(H,21,23,24)