2-(4-butoxy-3-methoxy-phenyl)-3-(2-methoxyphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile

Systemtic Name: 2-(4-butoxy-3-methoxy-phenyl)-3-(2-methoxyphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-(4-butoxy-3-methoxy-phenyl)-3-(2-methoxyphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 2-(4-butoxy-3-methoxyphenyl)-4-mercapto-3-(2-methoxyphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-(4-butoxy-3-methoxyphenyl)-3-(2-methoxyphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-(4-butoxy-3-methoxy-phenyl)-6-keto-4-mercapto-3-(2-methoxyphenyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2NC(=O)C(=C(N2C3=CC=CC=C3OC)S)C#N)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2NC(=O)C(=C(N2C3=CC=CC=C3OC)S)C#N)OC

InChI

InChI=1S/C23H25N3O4S/c1-4-5-12-30-19-11-10-15(13-20(19)29-3)21-25-22(27)16(14-24)23(31)26(21)17-8-6-7-9-18(17)28-2/h6-11,13,21,31H,4-5,12H2,1-3H3,(H,25,27)