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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC(=O)C=C(N1)C(C)C2=C(C=CC=C2F)F

Isomeric SMILES

CCCCSC1=NC(=O)C=C(N1)C(C)C2=C(C=CC=C2F)F

InChI

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