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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-6-(methoxymethyl)-5-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-6-(methoxymethyl)-5-methyl-1H-pyrimidin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-6-(methoxymethyl)-5-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(methoxymethyl)-5-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-6-(methoxymethyl)-5-methyl-1H-pyrimidin-4-one Formula: C14H14ClFN2O2S MolecularWeight: 328.789563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14ClFN2O2S/c1-8-12(6-20-2)17-14(18-13(8)19)21-7-9-10(15)4-3-5-11(9)16/h3-5H,6-7H2,1-2H3,(H,17,18,19)