2-[[5-cyano-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-methyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[[5-cyano-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-methyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[[5-cyano-4-oxo-6-(p-tolyl)-1H-pyrimidin-2-yl]sulfanyl]-N-methyl-acetamide CAS Name: 2-[[5-cyano-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]-N-methyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[[5-cyano-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-methylacetamide Traditional Name: N-benzyl-2-[[5-cyano-4-keto-6-(p-tolyl)-1H-pyrimidin-2-yl]thio]-N-methyl-acetamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)N(C)CC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)N(C)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C22H20N4O2S/c1-15-8-10-17(11-9-15)20-18(12-23)21(28)25-22(24-20)29-14-19(27)26(2)13-16-6-4-3-5-7-16/h3-11H,13-14H2,1-2H3,(H,24,25,28)