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6-chloro-3-{[4-hydroxy-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}-4-phenyl-2(1H)-quinolinone

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6-chloro-3-{[4-hydroxy-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}-4-phenyl-2(1H)-quinolinone
SpectraBase Compound ID KUiktGSbIg6
InChI InChI=1S/C20H11ClF3N3O2S/c21-11-6-7-13-12(8-11)16(10-4-2-1-3-5-10)17(18(29)25-13)30-19-26-14(20(22,23)24)9-15(28)27-19/h1-9H,(H,25,29)(H,26,27,28)
InChIKey ZJNXEXXWTWKTBE-UHFFFAOYSA-N
Mol Weight 449.84 g/mol
Molecular Formula C20H11ClF3N3O2S
Exact Mass 449.02126 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 80J6Jr5Om97
Name 6-Chloranyl-3-[[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-4-phenyl-1H-quinolin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H11ClF3N3O2S
InChI InChI=1S/C20H11ClF3N3O2S/c21-11-6-7-13-12(8-11)16(10-4-2-1-3-5-10)17(18(29)25-13)30-19-26-14(20(22,23)24)9-15(28)27-19/h1-9H,(H,25,29)(H,26,27,28)
InChIKey ZJNXEXXWTWKTBE-UHFFFAOYSA-N
Molecular Weight 449.835 g/mol
SMILES N1c2c(C(=C(Sc3nc(cc(n3)O)C(F)(F)F)C1=O)c1ccccc1)cc(cc2)Cl
SPLASH splash10-0007-9550100000-abfe85311f75ca4ba620
Synonyms 6-Chloro-3-[[4-keto-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]-4-phenyl-carbostyril 6-Chloro-3-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]sulfanyl]-4-phenyl-1H-quinolin-2-one 6-Chloro-3-[[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]thio]-4-phenyl-1H-quinolin-2-one
Wiley ID 1446583