5-[(3-methylphenyl)methyl]-2-methylsulfanyl-1H-pyrimidin-6-one

Systemtic Name: 5-[(3-methylphenyl)methyl]-2-methylsulfanyl-1H-pyrimidin-6-one Openeye Name: 2-methylsulfanyl-5-(m-tolylmethyl)-1H-pyrimidin-6-one CAS Name: 5-[(3-methylphenyl)methyl]-2-(methylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(3-methylphenyl)methyl]-2-methylsulfanyl-1H-pyrimidin-6-one Traditional Name: 5-(3-methylbenzyl)-2-(methylthio)-1H-pyrimidin-6-one Formula: C13H14N2OS MolecularWeight: 246.32806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=CN=C(NC2=O)SC

Isomeric SMILES

CC1=CC(=CC=C1)CC2=CN=C(NC2=O)SC

InChI

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