5-methyl-6-[(2-methylcyclohexyl)methyl]-2-phenacylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 5-methyl-6-[(2-methylcyclohexyl)methyl]-2-phenacylsulfanyl-1H-pyrimidin-4-one Openeye Name: 5-methyl-6-[(2-methylcyclohexyl)methyl]-2-phenacylsulfanyl-1H-pyrimidin-4-one CAS Name: 5-methyl-6-[(2-methylcyclohexyl)methyl]-2-(phenacylthio)-1H-pyrimidin-4-one IUPAC Name: 5-methyl-6-[(2-methylcyclohexyl)methyl]-2-phenacylsulfanyl-1H-pyrimidin-4-one Traditional Name: 5-methyl-6-[(2-methylcyclohexyl)methyl]-2-(phenacylthio)-1H-pyrimidin-4-one Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1CC2=C(C(=O)N=C(N2)SCC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1CCCCC1CC2=C(C(=O)N=C(N2)SCC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H26N2O2S/c1-14-8-6-7-11-17(14)12-18-15(2)20(25)23-21(22-18)26-13-19(24)16-9-4-3-5-10-16/h3-5,9-10,14,17H,6-8,11-13H2,1-2H3,(H,22,23,25)