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

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

Systemtic Name:6-[[2,6-bis(fluoranyl)phenyl]methyl]-2-butan-2-ylsulfanyl-5-methyl-1H-pyrimidin-4-one
Openeye Name:6-[(2,6-difluorophenyl)methyl]-5-methyl-2-sec-butylsulfanyl-1H-pyrimidin-4-one
CAS Name:2-(butan-2-ylthio)-6-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-4-one
IUPAC Name:2-butan-2-ylsulfanyl-6-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-4-one
Traditional Name:6-(2,6-difluorobenzyl)-5-methyl-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)CC2=C(C=CC=C2F)F)C


Isomeric SMILES

CCC(C)SC1=NC(=O)C(=C(N1)CC2=C(C=CC=C2F)F)C


InChI

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


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