6-methyl-5-[2-(3-methylbutylsulfanyl)ethyl]-2-(4-methylphenyl)-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-[2-(3-methylbutylsulfanyl)ethyl]-2-(4-methylphenyl)-1H-pyrimidin-4-one Openeye Name: 5-(2-isopentylsulfanylethyl)-6-methyl-2-(p-tolyl)-1H-pyrimidin-4-one CAS Name: 6-methyl-5-[2-(3-methylbutylthio)ethyl]-2-(4-methylphenyl)-1H-pyrimidin-4-one IUPAC Name: 6-methyl-5-[2-(3-methylbutylsulfanyl)ethyl]-2-(4-methylphenyl)-1H-pyrimidin-4-one Traditional Name: 5-[2-(isoamylthio)ethyl]-6-methyl-2-(p-tolyl)-1H-pyrimidin-4-one Formula: C19H26N2OS MolecularWeight: 330.48754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=O)C(=C(N2)C)CCSCCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=O)C(=C(N2)C)CCSCCC(C)C

InChI

InChI=1S/C19H26N2OS/c1-13(2)9-11-23-12-10-17-15(4)20-18(21-19(17)22)16-7-5-14(3)6-8-16/h5-8,13H,9-12H2,1-4H3,(H,20,21,22)