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

Systemtic Name: 2-(4-butoxy-3-methoxy-phenyl)-3-(2,5-dimethylphenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-(4-butoxy-3-methoxy-phenyl)-3-(2,5-dimethylphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 2-(4-butoxy-3-methoxyphenyl)-3-(2,5-dimethylphenyl)-4-mercapto-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-(4-butoxy-3-methoxyphenyl)-3-(2,5-dimethylphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-(4-butoxy-3-methoxy-phenyl)-3-(2,5-dimethylphenyl)-6-keto-4-mercapto-1,2-dihydropyrimidine-5-carbonitrile Formula: C24H27N3O3S MolecularWeight: 437.55448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2NC(=O)C(=C(N2C3=C(C=CC(=C3)C)C)S)C#N)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2NC(=O)C(=C(N2C3=C(C=CC(=C3)C)C)S)C#N)OC

InChI

InChI=1S/C24H27N3O3S/c1-5-6-11-30-20-10-9-17(13-21(20)29-4)22-26-23(28)18(14-25)24(31)27(22)19-12-15(2)7-8-16(19)3/h7-10,12-13,22,31H,5-6,11H2,1-4H3,(H,26,28)