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

Systemtic Name: 2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 2-(2,5-dimethoxyphenyl)-4-mercapto-3-(4-methoxyphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-(2,5-dimethoxyphenyl)-3-(4-methoxyphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-(2,5-dimethoxyphenyl)-6-keto-4-mercapto-3-(4-methoxyphenyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2C(NC(=O)C(=C2S)C#N)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C20H19N3O4S/c1-25-13-6-4-12(5-7-13)23-18(22-19(24)16(11-21)20(23)28)15-10-14(26-2)8-9-17(15)27-3/h4-10,18,28H,1-3H3,(H,22,24)