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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CSC2=NC(=O)C(=C(N2)C3CCCCC3)C#N

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CSC2=NC(=O)C(=C(N2)C3CCCCC3)C#N

InChI

InChI=1S/C20H22N4O2S/c1-24(15-10-6-3-7-11-15)17(25)13-27-20-22-18(14-8-4-2-5-9-14)16(12-21)19(26)23-20/h3,6-7,10-11,14H,2,4-5,8-9,13H2,1H3,(H,22,23,26)