2-(cyanomethylsulfanyl)-3-(3,5-dimethoxyphenyl)-N-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 2-(cyanomethylsulfanyl)-3-(3,5-dimethoxyphenyl)-N-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 2-(cyanomethylsulfanyl)-3-(3,5-dimethoxyphenyl)-N-isobutyl-4-oxo-quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-3-(3,5-dimethoxyphenyl)-N-(2-methylpropyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 2-(cyanomethylsulfanyl)-3-(3,5-dimethoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(cyanomethylthio)-3-(3,5-dimethoxyphenyl)-N-isobutyl-4-keto-quinazoline-7-carboxamide Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC#N)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC(C)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC#N)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C23H24N4O4S/c1-14(2)13-25-21(28)15-5-6-19-20(9-15)26-23(32-8-7-24)27(22(19)29)16-10-17(30-3)12-18(11-16)31-4/h5-6,9-12,14H,8,13H2,1-4H3,(H,25,28)