4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)-N-(3-methylsulfanylphenyl)butanamide

Systemtic Name: 4-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)-N-(3-methylsulfanylphenyl)butanamide Openeye Name: 4-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)-N-(3-methylsulfanylphenyl)butanamide CAS Name: 4-(6,7-dimethoxy-4-oxo-3-quinazolinyl)-N-[3-(methylthio)phenyl]butanamide IUPAC Name: 4-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3-methylsulfanylphenyl)butanamide Traditional Name: 4-(4-keto-6,7-dimethoxy-quinazolin-3-yl)-N-[3-(methylthio)phenyl]butyramide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCCC(=O)NC3=CC(=CC=C3)SC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCCC(=O)NC3=CC(=CC=C3)SC)OC

InChI

InChI=1S/C21H23N3O4S/c1-27-18-11-16-17(12-19(18)28-2)22-13-24(21(16)26)9-5-8-20(25)23-14-6-4-7-15(10-14)29-3/h4,6-7,10-13H,5,8-9H2,1-3H3,(H,23,25)