2-[2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(3,4-difluorophenyl)-2-oxo-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[[2-(3,4-difluorophenyl)-2-oxoethyl]thio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(3,4-difluorophenyl)-2-keto-ethyl]thio]-6-methyl-1H-pyrimidin-4-one Formula: C13H10F2N2O2S MolecularWeight: 296.292506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC(=O)C2=CC(=C(C=C2)F)F

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC(=O)C2=CC(=C(C=C2)F)F

InChI

InChI=1S/C13H10F2N2O2S/c1-7-4-12(19)17-13(16-7)20-6-11(18)8-2-3-9(14)10(15)5-8/h2-5H,6H2,1H3,(H,16,17,19)