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

Systemtic Name: 3-(3-methylphenyl)-6-oxidanylidene-4-sulfanyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 3-(m-tolyl)-6-oxo-4-sulfanyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 4-mercapto-3-(3-methylphenyl)-6-oxo-2-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 3-(3-methylphenyl)-6-oxo-4-sulfanyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 6-keto-4-mercapto-3-(m-tolyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-12-6-5-7-14(8-12)24-19(23-20(25)15(11-22)21(24)29)13-9-16(26-2)18(28-4)17(10-13)27-3/h5-10,19,29H,1-4H3,(H,23,25)