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

Systemtic Name: 3-(2,5-dimethylphenyl)-2-(3-methoxy-4-phenylmethoxy-phenyl)-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-(4-benzyloxy-3-methoxy-phenyl)-3-(2,5-dimethylphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 3-(2,5-dimethylphenyl)-4-mercapto-2-(3-methoxy-4-phenylmethoxyphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 3-(2,5-dimethylphenyl)-2-(3-methoxy-4-phenylmethoxyphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-(4-benzoxy-3-methoxy-phenyl)-3-(2,5-dimethylphenyl)-6-keto-4-mercapto-1,2-dihydropyrimidine-5-carbonitrile Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(NC(=O)C(=C2S)C#N)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(NC(=O)C(=C2S)C#N)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H25N3O3S/c1-17-9-10-18(2)22(13-17)30-25(29-26(31)21(15-28)27(30)34)20-11-12-23(24(14-20)32-3)33-16-19-7-5-4-6-8-19/h4-14,25,34H,16H2,1-3H3,(H,29,31)