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

Systemtic Name: 2-[[5-cyano-6-(4-methoxyphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[5-cyano-6-(4-methoxyphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[5-cyano-4-keto-6-(4-methoxyphenyl)-1H-pyrimidin-2-yl]thio]-N-cyclohexyl-acetamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3CCCCC3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCC(=O)NC3CCCCC3)C#N

InChI

InChI=1S/C20H22N4O3S/c1-27-15-9-7-13(8-10-15)18-16(11-21)19(26)24-20(23-18)28-12-17(25)22-14-5-3-2-4-6-14/h7-10,14H,2-6,12H2,1H3,(H,22,25)(H,23,24,26)