6-(cyclohexylmethyl)-5-ethyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-(cyclohexylmethyl)-5-ethyl-2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-4-one Openeye Name: 6-(cyclohexylmethyl)-5-ethyl-2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-1H-pyrimidin-4-one CAS Name: 6-(cyclohexylmethyl)-5-ethyl-2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-1H-pyrimidin-4-one IUPAC Name: 6-(cyclohexylmethyl)-5-ethyl-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-1H-pyrimidin-4-one Traditional Name: 6-(cyclohexylmethyl)-5-ethyl-2-[[2-keto-2-(p-tolyl)ethyl]thio]-1H-pyrimidin-4-one Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCC(=O)C2=CC=C(C=C2)C)CC3CCCCC3

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC(=O)C2=CC=C(C=C2)C)CC3CCCCC3

InChI

InChI=1S/C22H28N2O2S/c1-3-18-19(13-16-7-5-4-6-8-16)23-22(24-21(18)26)27-14-20(25)17-11-9-15(2)10-12-17/h9-12,16H,3-8,13-14H2,1-2H3,(H,23,24,26)