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

Systemtic Name: 2-[[5-cyano-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-cycloheptyl-ethanamide Openeye Name: 2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-cycloheptyl-acetamide CAS Name: 2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]-N-cycloheptylacetamide IUPAC Name: 2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-cycloheptylacetamide Traditional Name: 2-[[5-cyano-4-keto-6-(4-methoxyphenyl)-1H-pyrimidin-2-yl]thio]-N-cycloheptyl-acetamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3CCCCCC3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3CCCCCC3)C#N

InChI

InChI=1S/C21H24N4O3S/c1-28-16-10-8-14(9-11-16)19-17(12-22)20(27)25-21(24-19)29-13-18(26)23-15-6-4-2-3-5-7-15/h8-11,15H,2-7,13H2,1H3,(H,23,26)(H,24,25,27)