2-[(2-chlorophenyl)methylsulfanyl]-3,6-dimethyl-pyrimidin-4-one

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-3,6-dimethyl-pyrimidin-4-one Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-3,6-dimethyl-pyrimidin-4-one CAS Name: 2-[(2-chlorophenyl)methylthio]-3,6-dimethyl-4-pyrimidinone IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-3,6-dimethylpyrimidin-4-one Traditional Name: 2-[(2-chlorobenzyl)thio]-3,6-dimethyl-pyrimidin-4-one Formula: C13H13ClN2OS MolecularWeight: 280.77312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2Cl)C

Isomeric SMILES

CC1=CC(=O)N(C(=N1)SCC2=CC=CC=C2Cl)C

InChI

InChI=1S/C13H13ClN2OS/c1-9-7-12(17)16(2)13(15-9)18-8-10-5-3-4-6-11(10)14/h3-7H,8H2,1-2H3