6-(1-cyclohexylethyl)-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-1H-pyrimidin-4-one

Systemtic Name: 6-(1-cyclohexylethyl)-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-1H-pyrimidin-4-one Openeye Name: 6-(1-cyclohexylethyl)-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-5-methyl-1H-pyrimidin-4-one CAS Name: 6-(1-cyclohexylethyl)-2-[[2-(4-methoxyphenyl)-2-oxoethyl]thio]-5-methyl-1H-pyrimidin-4-one IUPAC Name: 6-(1-cyclohexylethyl)-2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-5-methyl-1H-pyrimidin-4-one Traditional Name: 6-(1-cyclohexylethyl)-2-[[2-keto-2-(4-methoxyphenyl)ethyl]thio]-5-methyl-1H-pyrimidin-4-one Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC(=O)C2=CC=C(C=C2)OC)C(C)C3CCCCC3

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC(=O)C2=CC=C(C=C2)OC)C(C)C3CCCCC3

InChI

InChI=1S/C22H28N2O3S/c1-14(16-7-5-4-6-8-16)20-15(2)21(26)24-22(23-20)28-13-19(25)17-9-11-18(27-3)12-10-17/h9-12,14,16H,4-8,13H2,1-3H3,(H,23,24,26)