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

Systemtic Name: 2-[[5-cyano-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[5-cyano-4-oxo-6-(p-tolyl)-1H-pyrimidin-2-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[5-cyano-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[5-cyano-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[5-cyano-4-keto-6-(p-tolyl)-1H-pyrimidin-2-yl]thio]-N-cyclohexyl-acetamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3CCCCC3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3CCCCC3)C#N

InChI

InChI=1S/C20H22N4O2S/c1-13-7-9-14(10-8-13)18-16(11-21)19(26)24-20(23-18)27-12-17(25)22-15-5-3-2-4-6-15/h7-10,15H,2-6,12H2,1H3,(H,22,25)(H,23,24,26)