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

Systemtic Name: 3-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)-N-(3-methylsulfanylphenyl)propanamide Openeye Name: 3-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)-N-(3-methylsulfanylphenyl)propanamide CAS Name: 3-(6,7-dimethoxy-4-oxo-3-quinazolinyl)-N-[3-(methylthio)phenyl]propanamide IUPAC Name: 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-(3-methylsulfanylphenyl)propanamide Traditional Name: 3-(4-keto-6,7-dimethoxy-quinazolin-3-yl)-N-[3-(methylthio)phenyl]propionamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-26-17-10-15-16(11-18(17)27-2)21-12-23(20(15)25)8-7-19(24)22-13-5-4-6-14(9-13)28-3/h4-6,9-12H,7-8H2,1-3H3,(H,22,24)