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

Systemtic Name: 2-(3-methoxy-4-phenylmethoxy-phenyl)-6-oxidanylidene-3-(4-propan-2-ylphenyl)-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-(4-benzyloxy-3-methoxy-phenyl)-3-(4-isopropylphenyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 4-mercapto-2-(3-methoxy-4-phenylmethoxyphenyl)-6-oxo-3-(4-propan-2-ylphenyl)-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-(3-methoxy-4-phenylmethoxyphenyl)-6-oxo-3-(4-propan-2-ylphenyl)-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-(4-benzoxy-3-methoxy-phenyl)-6-keto-4-mercapto-3-p-cumenyl-1,2-dihydropyrimidine-5-carbonitrile Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O3S/c1-18(2)20-9-12-22(13-10-20)31-26(30-27(32)23(16-29)28(31)35)21-11-14-24(25(15-21)33-3)34-17-19-7-5-4-6-8-19/h4-15,18,26,35H,17H2,1-3H3,(H,30,32)