6-[[3,5-bis(fluoranyl)phenyl]methyl]-2-butan-2-ylsulfanyl-1H-pyrimidin-4-one

Systemtic Name: 6-[[3,5-bis(fluoranyl)phenyl]methyl]-2-butan-2-ylsulfanyl-1H-pyrimidin-4-one Openeye Name: 6-[(3,5-difluorophenyl)methyl]-2-sec-butylsulfanyl-1H-pyrimidin-4-one CAS Name: 2-(butan-2-ylthio)-6-[(3,5-difluorophenyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-butan-2-ylsulfanyl-6-[(3,5-difluorophenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 6-(3,5-difluorobenzyl)-2-(sec-butylthio)-1H-pyrimidin-4-one Formula: C15H16F2N2OS MolecularWeight: 310.362146

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NC(=O)C=C(N1)CC2=CC(=CC(=C2)F)F

Isomeric SMILES

CCC(C)SC1=NC(=O)C=C(N1)CC2=CC(=CC(=C2)F)F

InChI

InChI=1S/C15H16F2N2OS/c1-3-9(2)21-15-18-13(8-14(20)19-15)6-10-4-11(16)7-12(17)5-10/h4-5,7-9H,3,6H2,1-2H3,(H,18,19,20)