4-(3,4-dimethoxyphenyl)-6-oxidanylidene-1-(phenylmethyl)-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 4-(3,4-dimethoxyphenyl)-6-oxidanylidene-1-(phenylmethyl)-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 1-benzyl-2-benzylsulfanyl-4-(3,4-dimethoxyphenyl)-6-oxo-pyrimidine-5-carbonitrile CAS Name: 4-(3,4-dimethoxyphenyl)-6-oxo-1-(phenylmethyl)-2-(phenylmethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 1-benzyl-2-benzylsulfanyl-4-(3,4-dimethoxyphenyl)-6-oxopyrimidine-5-carbonitrile Traditional Name: 1-benzyl-2-(benzylthio)-4-(3,4-dimethoxyphenyl)-6-keto-pyrimidine-5-carbonitrile Formula: C27H23N3O3S MolecularWeight: 469.55482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=O)N(C(=N2)SCC3=CC=CC=C3)CC4=CC=CC=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=O)N(C(=N2)SCC3=CC=CC=C3)CC4=CC=CC=C4)C#N)OC

InChI

InChI=1S/C27H23N3O3S/c1-32-23-14-13-21(15-24(23)33-2)25-22(16-28)26(31)30(17-19-9-5-3-6-10-19)27(29-25)34-18-20-11-7-4-8-12-20/h3-15H,17-18H2,1-2H3