2-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-(3,4-dimethoxyphenyl)-6-oxo-3-(p-tolyl)-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 2-(3,4-dimethoxyphenyl)-4-mercapto-3-(4-methylphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-(3,4-dimethoxyphenyl)-6-keto-4-mercapto-3-(p-tolyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H19N3O3S/c1-12-4-7-14(8-5-12)23-18(22-19(24)15(11-21)20(23)27)13-6-9-16(25-2)17(10-13)26-3/h4-10,18,27H,1-3H3,(H,22,24)