2-[1-[3,4-bis(fluoranyl)phenyl]-1-oxidanylidene-propan-2-yl]sulfanyl-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[1-[3,4-bis(fluoranyl)phenyl]-1-oxidanylidene-propan-2-yl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[2-(3,4-difluorophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[2-(3,4-difluorophenyl)-2-keto-1-methyl-ethyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C16H16F2N2O2S MolecularWeight: 338.372246

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC(C)C(=O)C2=CC(=C(C=C2)F)F

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SC(C)C(=O)C2=CC(=C(C=C2)F)F

InChI

InChI=1S/C16H16F2N2O2S/c1-3-4-11-8-14(21)20-16(19-11)23-9(2)15(22)10-5-6-12(17)13(18)7-10/h5-9H,3-4H2,1-2H3,(H,19,20,21)