6-[1-[2,6-bis(fluoranyl)phenyl]ethyl]-2-butan-2-ylsulfanyl-5-methyl-1H-pyrimidin-4-one

Systemtic Name: 6-[1-[2,6-bis(fluoranyl)phenyl]ethyl]-2-butan-2-ylsulfanyl-5-methyl-1H-pyrimidin-4-one Openeye Name: 6-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-sec-butylsulfanyl-1H-pyrimidin-4-one CAS Name: 2-(butan-2-ylthio)-6-[1-(2,6-difluorophenyl)ethyl]-5-methyl-1H-pyrimidin-4-one IUPAC Name: 2-butan-2-ylsulfanyl-6-[1-(2,6-difluorophenyl)ethyl]-5-methyl-1H-pyrimidin-4-one Traditional Name: 6-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-(sec-butylthio)-1H-pyrimidin-4-one Formula: C17H20F2N2OS MolecularWeight: 338.415306

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C17H20F2N2OS/c1-5-9(2)23-17-20-15(11(4)16(22)21-17)10(3)14-12(18)7-6-8-13(14)19/h6-10H,5H2,1-4H3,(H,20,21,22)