5,6-dimethyl-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-(2-pyridylmethylsulfanyl)-1H-pyrimidin-4-one CAS Name: 5,6-dimethyl-2-(2-pyridinylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-(pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 5,6-dimethyl-2-(2-pyridylmethylthio)-1H-pyrimidin-4-one Formula: C12H13N3OS MolecularWeight: 247.31612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC2=CC=CC=N2)C

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC2=CC=CC=N2)C

InChI

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