4-(4-dimethylaminophenyl)-6-oxidanylidene-1-(phenylmethyl)-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile

Systemtic Name: 4-(4-dimethylaminophenyl)-6-oxidanylidene-1-(phenylmethyl)-2-(phenylmethylsulfanyl)pyrimidine-5-carbonitrile Openeye Name: 1-benzyl-2-benzylsulfanyl-4-(4-dimethylaminophenyl)-6-oxo-pyrimidine-5-carbonitrile CAS Name: 4-(4-dimethylaminophenyl)-6-oxo-1-(phenylmethyl)-2-(phenylmethylthio)-5-pyrimidinecarbonitrile IUPAC Name: 1-benzyl-2-benzylsulfanyl-4-(4-dimethylaminophenyl)-6-oxopyrimidine-5-carbonitrile Traditional Name: 1-benzyl-2-(benzylthio)-4-(4-dimethylaminophenyl)-6-keto-pyrimidine-5-carbonitrile Formula: C27H24N4OS MolecularWeight: 452.57066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N4OS/c1-30(2)23-15-13-22(14-16-23)25-24(17-28)26(32)31(18-20-9-5-3-6-10-20)27(29-25)33-19-21-11-7-4-8-12-21/h3-16H,18-19H2,1-2H3