6-methyl-2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-(p-tolylmethylsulfanyl)-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[(4-methylphenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-methyl-2-[(4-methylbenzyl)thio]-1H-pyrimidin-4-one Formula: C13H14N2OS MolecularWeight: 246.32806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)C

InChI

InChI=1S/C13H14N2OS/c1-9-3-5-11(6-4-9)8-17-13-14-10(2)7-12(16)15-13/h3-7H,8H2,1-2H3,(H,14,15,16)