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

Systemtic Name: 6-[[2,6-bis(fluoranyl)phenyl]methyl]-5-ethyl-2-propan-2-ylsulfanyl-1H-pyrimidin-4-one Openeye Name: 6-[(2,6-difluorophenyl)methyl]-5-ethyl-2-isopropylsulfanyl-1H-pyrimidin-4-one CAS Name: 6-[(2,6-difluorophenyl)methyl]-5-ethyl-2-(propan-2-ylthio)-1H-pyrimidin-4-one IUPAC Name: 6-[(2,6-difluorophenyl)methyl]-5-ethyl-2-propan-2-ylsulfanyl-1H-pyrimidin-4-one Traditional Name: 6-(2,6-difluorobenzyl)-5-ethyl-2-(isopropylthio)-1H-pyrimidin-4-one Formula: C16H18F2N2OS MolecularWeight: 324.388726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SC(C)C)CC2=C(C=CC=C2F)F

Isomeric SMILES

CCC1=C(NC(=NC1=O)SC(C)C)CC2=C(C=CC=C2F)F

InChI

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