6-methyl-2-(4-methylphenyl)-5-[2-(phenylmethylsulfanyl)ethyl]-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-(4-methylphenyl)-5-[2-(phenylmethylsulfanyl)ethyl]-1H-pyrimidin-4-one Openeye Name: 5-(2-benzylsulfanylethyl)-6-methyl-2-(p-tolyl)-1H-pyrimidin-4-one CAS Name: 6-methyl-2-(4-methylphenyl)-5-[2-(phenylmethylthio)ethyl]-1H-pyrimidin-4-one IUPAC Name: 5-(2-benzylsulfanylethyl)-6-methyl-2-(4-methylphenyl)-1H-pyrimidin-4-one Traditional Name: 5-[2-(benzylthio)ethyl]-6-methyl-2-(p-tolyl)-1H-pyrimidin-4-one Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=O)C(=C(N2)C)CCSCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=O)C(=C(N2)C)CCSCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2OS/c1-15-8-10-18(11-9-15)20-22-16(2)19(21(24)23-20)12-13-25-14-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,22,23,24)