6-[1-[2,6-bis(fluoranyl)phenyl]ethyl]-2-butan-2-ylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-[1-[2,6-bis(fluoranyl)phenyl]ethyl]-2-butan-2-ylsulfanyl-1H-pyrimidin-4-one Openeye Name: 6-[1-(2,6-difluorophenyl)ethyl]-2-sec-butylsulfanyl-1H-pyrimidin-4-one CAS Name: 2-(butan-2-ylthio)-6-[1-(2,6-difluorophenyl)ethyl]-1H-pyrimidin-4-one IUPAC Name: 2-butan-2-ylsulfanyl-6-[1-(2,6-difluorophenyl)ethyl]-1H-pyrimidin-4-one Traditional Name: 6-[1-(2,6-difluorophenyl)ethyl]-2-(sec-butylthio)-1H-pyrimidin-4-one Formula: C16H18F2N2OS MolecularWeight: 324.388726

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C=C(N1)C(C)C2=C(C=CC=C2F)F

Isomeric SMILES

CCC(C)SC1=NC(=O)C=C(N1)C(C)C2=C(C=CC=C2F)F

InChI

InChI=1S/C16H18F2N2OS/c1-4-9(2)22-16-19-13(8-14(21)20-16)10(3)15-11(17)6-5-7-12(15)18/h5-10H,4H2,1-3H3,(H,19,20,21)