2-[(4-chlorophenyl)methylsulfanyl]-5,6-dimethyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-5,6-dimethyl-1H-pyrimidin-4-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-5,6-dimethyl-1H-pyrimidin-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-5,6-dimethyl-1H-pyrimidin-4-one IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-5,6-dimethyl-1H-pyrimidin-4-one Traditional Name: 2-[(4-chlorobenzyl)thio]-5,6-dimethyl-1H-pyrimidin-4-one Formula: C13H13ClN2OS MolecularWeight: 280.77312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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