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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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