5-(2-butylsulfanylethyl)-6-methyl-2-(4-methylphenyl)-1H-pyrimidin-4-one

Systemtic Name: 5-(2-butylsulfanylethyl)-6-methyl-2-(4-methylphenyl)-1H-pyrimidin-4-one Openeye Name: 5-(2-butylsulfanylethyl)-6-methyl-2-(p-tolyl)-1H-pyrimidin-4-one CAS Name: 5-[2-(butylthio)ethyl]-6-methyl-2-(4-methylphenyl)-1H-pyrimidin-4-one IUPAC Name: 5-(2-butylsulfanylethyl)-6-methyl-2-(4-methylphenyl)-1H-pyrimidin-4-one Traditional Name: 5-[2-(butylthio)ethyl]-6-methyl-2-(p-tolyl)-1H-pyrimidin-4-one Formula: C18H24N2OS MolecularWeight: 316.46096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCC1=C(NC(=NC1=O)C2=CC=C(C=C2)C)C

Isomeric SMILES

CCCCSCCC1=C(NC(=NC1=O)C2=CC=C(C=C2)C)C

InChI

InChI=1S/C18H24N2OS/c1-4-5-11-22-12-10-16-14(3)19-17(20-18(16)21)15-8-6-13(2)7-9-15/h6-9H,4-5,10-12H2,1-3H3,(H,19,20,21)