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

Systemtic Name: 5-[(5-methylpyridin-3-yl)methyl]-2-methylsulfanyl-1H-pyrimidin-6-one Openeye Name: 5-[(5-methyl-3-pyridyl)methyl]-2-methylsulfanyl-1H-pyrimidin-6-one CAS Name: 5-[(5-methyl-3-pyridinyl)methyl]-2-(methylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(5-methylpyridin-3-yl)methyl]-2-methylsulfanyl-1H-pyrimidin-6-one Traditional Name: 5-[(5-methyl-3-pyridyl)methyl]-2-(methylthio)-1H-pyrimidin-6-one Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3OS/c1-8-3-9(6-13-5-8)4-10-7-14-12(17-2)15-11(10)16/h3,5-7H,4H2,1-2H3,(H,14,15,16)