5-[(2-methylpyridin-4-yl)methyl]-2-methylsulfanyl-1H-pyrimidin-6-one

Systemtic Name: 5-[(2-methylpyridin-4-yl)methyl]-2-methylsulfanyl-1H-pyrimidin-6-one Openeye Name: 5-[(2-methyl-4-pyridyl)methyl]-2-methylsulfanyl-1H-pyrimidin-6-one CAS Name: 5-[(2-methyl-4-pyridinyl)methyl]-2-(methylthio)-1H-pyrimidin-6-one IUPAC Name: 5-[(2-methylpyridin-4-yl)methyl]-2-methylsulfanyl-1H-pyrimidin-6-one Traditional Name: 5-[(2-methyl-4-pyridyl)methyl]-2-(methylthio)-1H-pyrimidin-6-one Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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