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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-5,6-dimethyl-1H-pyrimidin-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-5,6-dimethyl-1H-pyrimidin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-5,6-dimethyl-1H-pyrimidin-4-one IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5,6-dimethyl-1H-pyrimidin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-5,6-dimethyl-1H-pyrimidin-4-one Formula: C13H12ClFN2OS MolecularWeight: 298.763583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC2=C(C=CC=C2Cl)F)C

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC2=C(C=CC=C2Cl)F)C

InChI

InChI=1S/C13H12ClFN2OS/c1-7-8(2)16-13(17-12(7)18)19-6-9-10(14)4-3-5-11(9)15/h3-5H,6H2,1-2H3,(H,16,17,18)