Chem
J-GLOBAL ID：201707003502186266   Nikkaji number：J3.621.175J

2-(Trifluoromethyl)-3-[2α-cyanocyclopropane-1β-yl]-7-[3-(trifluoromethyl)-5-chloro-1H-pyrazole-1-ylmethyl]-5H-thiazolo[3,2-a]pyrimidine-5-one

2-(トリフルオロメチル)-3-[2α-シアノシクロプロパン-1β-イル]-7-[3-(トリフルオロメチル)-5-クロロ-1H-ピラゾール-1-イルメチル]-5H-チアゾロ[3,2-a]ピリミジン-5-オン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C16H8ClF6N5OS
Molecular formula furigana： C16-H8-CL-F6-N5-O-S
Molecular weight： 467.770
InChI： InChI=1S/C16H8ClF6N5OS/c17-10-3-9(15(18,19)20)26-27(10)5-7-2-11(29)28-12(8-1-6(8)4-24)13(16(21,22)23)30-14(28)25-7/h2-3,6,8H,1,5H2/t6-,8+/m0/s1
InChI key： FTIBNGABJNFFAI-POYBYMJQSA-N
SMILES： FC(F)(F)c1cc(Cl)n(Cc2cc(=O)n3c([C@@H]4C[C@H]4C#N)c(sc3n2)C(F)(F)F)n1
Systematic name  (3)：
  • 2-(トリフルオロメチル)-3-[2α-シアノシクロプロパン-1β-イル]-7-[3-(トリフルオロメチル)-5-クロロ-1H-ピラゾール-1-イルメチル]-5H-チアゾロ[3,2-a]ピリミジン-5-オン
  • (1R,2R)-2-(7-{[5-クロロ-3-(トリフルオロメチル)-1H-ピラゾール-1-イル]メチル}-5-オキソ-2-(トリフルオロメチル)-5H-[1,3]チアゾロ[3,2-a]ピリミジン-3-イル)シクロプロパン-1-カルボニトリル
  • (1R,2R)-2-(7-{[5-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}-5-oxo-2-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)cyclopropane-1-carbonitrile
Other name (1)：
  • 2-(Trifluoromethyl)-3-[2α-cyanocyclopropane-1β-yl]-7-[3-(trifluoromethyl)-5-chloro-1H-pyrazole-1-ylmethyl]-5H-thiazolo[3,2-a]pyrimidine-5-one
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