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3-Methyl-5-[[oxo-[5-phenyl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]methyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester
SpectraBase Compound ID 1HaAhEFZDbF
InChI InChI=1S/C25H21F3N4O5S/c1-4-36-23(34)19-13(3)20(24(35)37-5-2)38-22(19)30-21(33)16-12-18-29-15(14-9-7-6-8-10-14)11-17(25(26,27)28)32(18)31-16/h6-12H,4-5H2,1-3H3,(H,30,33)
InChIKey BDLCZXIRFZGWOM-UHFFFAOYSA-N
Mol Weight 546.52 g/mol
Molecular Formula C25H21F3N4O5S
Exact Mass 546.118475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FthkPWO0lzm
Name 3-Methyl-5-[[oxo-[5-phenyl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]methyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester
Alternate Name(s) Diethyl 3-methyl-5-({[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-2,4-thiophenedicarboxylate Diethyl 3-methyl-5-[[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonylamino]thiophene-2,4-dicarboxylate Diethyl 3-methyl-5-[[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]thiophene-2,4-dicarboxylate
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Formula C25H21F3N4O5S
InChI InChI=1S/C25H21F3N4O5S/c1-4-36-23(34)19-13(3)20(24(35)37-5-2)38-22(19)30-21(33)16-12-18-29-15(14-9-7-6-8-10-14)11-17(25(26,27)28)32(18)31-16/h6-12H,4-5H2,1-3H3,(H,30,33)
InChIKey BDLCZXIRFZGWOM-UHFFFAOYSA-N
Molecular Weight 546.521 g/mol
SMILES N(C(=O)c1n[n]2C(=CC(=Nc2c1)c1ccccc1)C(F)(F)F)c1c(c(c(s1)C(OCC)=O)C)C(OCC)=O
SPLASH splash10-0006-3590120000-b0185a8221698479a5b5
Wiley ID 1438488