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

Systemtic Name: 5,6-dimethyl-2-(phenylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-5,6-dimethyl-1H-pyrimidin-4-one CAS Name: 5,6-dimethyl-2-(phenylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-5,6-dimethyl-1H-pyrimidin-4-one Traditional Name: 2-(benzylthio)-5,6-dimethyl-1H-pyrimidin-4-one Formula: C13H14N2OS MolecularWeight: 246.32806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC2=CC=CC=C2)C

InChI

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