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6-CYANO-5-(4-FLUOROPHENYL)-3,7-DIMETHYL-2-METHYLSULFANYL-5,8-DIHYDROPYRIDO-[2,3-D]-PYRIMIDIN-4(3H)-ONE
SpectraBase Compound ID K6avbaE7RCg
InChI InChI=1S/C16H13FN4OS/c1-8-11(7-18)12(9-3-5-10(17)6-4-9)13-14(19-8)20-16(23-2)21-15(13)22/h3-6,12H,1-2H3,(H2,19,20,21,22)
InChIKey PUIUPZXUANPUFO-UHFFFAOYSA-N
Mol Weight 328.37 g/mol
Molecular Formula C16H13FN4OS
Exact Mass 328.07941 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FBb9Mw7ddGb
Name 5-(4-fluorophenyl)-7-methyl-2-(methylsulfanyl)-4-oxo-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile
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Formula C16H13FN4OS
InChI InChI=1S/C16H13FN4OS/c1-8-11(7-18)12(9-3-5-10(17)6-4-9)13-14(19-8)20-16(23-2)21-15(13)22/h3-6,12H,1-2H3,(H2,19,20,21,22)
InChIKey PUIUPZXUANPUFO-UHFFFAOYSA-N
Molecular Weight 328.365 g/mol
SMILES N1C(C2=C(N=C1SC)NC(=C(C2c1ccc(cc1)F)C#N)C)=O
SPLASH splash10-001i-0192000000-f25b9e1b063365efc6af
Source of Spectrum AJ-43-303-5
Synonyms 5-(p-Fluorophenyl)-6-cyano-3,7-dimethyl-2-(methylsulfanyl)-5,8-dihydropyrido[2,3-d]pyrimidin-4(3H)-one 5-(4-fluorophenyl)-7-methyl-2-(methylthio)-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile 5-(4-fluorophenyl)-7-methyl-2-methylsulfanyl-4-oxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile 5-(4-fluorophenyl)-7-methyl-2-methylsulfanyl-4-oxidanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
Wiley ID 1593872