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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC)CC2=C(C=CC=C2Cl)F

InChI

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