4-[[2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-4-oxidanylidene-1H-pyrimidin-6-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-4-oxidanylidene-1H-pyrimidin-6-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-4-oxo-1H-pyrimidin-6-yl]methyl]benzonitrile CAS Name: 4-[[2-[(4-methoxyphenyl)methylthio]-5-methyl-4-oxo-1H-pyrimidin-6-yl]methyl]benzonitrile IUPAC Name: 4-[[2-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-4-oxo-1H-pyrimidin-6-yl]methyl]benzonitrile Traditional Name: 4-[[4-keto-5-methyl-2-(p-anisylthio)-1H-pyrimidin-6-yl]methyl]benzonitrile Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H19N3O2S/c1-14-19(11-15-3-5-16(12-22)6-4-15)23-21(24-20(14)25)27-13-17-7-9-18(26-2)10-8-17/h3-10H,11,13H2,1-2H3,(H,23,24,25)