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

Systemtic Name: 2-(3-methoxy-4-phenylmethoxy-phenyl)-3-naphthalen-1-yl-6-oxidanylidene-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Openeye Name: 2-(4-benzyloxy-3-methoxy-phenyl)-3-(1-naphthyl)-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile CAS Name: 4-mercapto-2-(3-methoxy-4-phenylmethoxyphenyl)-3-(1-naphthalenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile IUPAC Name: 2-(3-methoxy-4-phenylmethoxyphenyl)-3-naphthalen-1-yl-6-oxo-4-sulfanyl-1,2-dihydropyrimidine-5-carbonitrile Traditional Name: 2-(4-benzoxy-3-methoxy-phenyl)-6-keto-4-mercapto-3-(1-naphthyl)-1,2-dihydropyrimidine-5-carbonitrile Formula: C29H23N3O3S MolecularWeight: 493.57622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2NC(=O)C(=C(N2C3=CC=CC4=CC=CC=C43)S)C#N)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C2NC(=O)C(=C(N2C3=CC=CC4=CC=CC=C43)S)C#N)OCC5=CC=CC=C5

InChI

InChI=1S/C29H23N3O3S/c1-34-26-16-21(14-15-25(26)35-18-19-8-3-2-4-9-19)27-31-28(33)23(17-30)29(36)32(27)24-13-7-11-20-10-5-6-12-22(20)24/h2-16,27,36H,18H2,1H3,(H,31,33)