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

Systemtic Name: 6,7-dimethoxy-2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NC(=O)C=C(N3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CSC3=NC(=O)C=C(N3)C4=CC=CC=C4)OC

InChI

InChI=1S/C21H18N4O4S/c1-28-16-8-13-15(9-17(16)29-2)22-18(24-20(13)27)11-30-21-23-14(10-19(26)25-21)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,22,24,27)(H,23,25,26)