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2-[[7-[chloro(difluoro)methyl]-5-(2-furyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID 5NNtgkVxWwf
InChI InChI=1S/C21H17ClF2N4O4S/c1-4-31-20(30)17-10(2)11(3)33-19(17)26-18(29)13-9-16-25-12(14-6-5-7-32-14)8-15(21(22,23)24)28(16)27-13/h5-9H,4H2,1-3H3,(H,26,29)
InChIKey DUJMTRRIHBTSDH-UHFFFAOYSA-N
Mol Weight 494.9 g/mol
Molecular Formula C21H17ClF2N4O4S
Exact Mass 494.06271 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XhmfXJUOj4
Name 2-[[7-[chloro(difluoro)methyl]-5-(2-furyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester
Alternate Name(s) 2-[[[7-[chloro(difluoro)methyl]-5-(2-furanyl)-2-pyrazolo[1,5-a]pyrimidinyl]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester Ethyl 2-[[7-[chloranyl-bis(fluoranyl)methyl]-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Ethyl 2-[[7-[chloro(difluoro)methyl]-5-(2-furyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Ethyl 2-[[7-[chloro(difluoro)methyl]-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
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Formula C21H17ClF2N4O4S
InChI InChI=1S/C21H17ClF2N4O4S/c1-4-31-20(30)17-10(2)11(3)33-19(17)26-18(29)13-9-16-25-12(14-6-5-7-32-14)8-15(21(22,23)24)28(16)27-13/h5-9H,4H2,1-3H3,(H,26,29)
InChIKey DUJMTRRIHBTSDH-UHFFFAOYSA-N
Molecular Weight 494.901 g/mol
SMILES N(c1c(c(C)c(s1)C)C(=O)OCC)C(c1n[n]2C(=CC(=Nc2c1)c1occc1)C(Cl)(F)F)=O
SPLASH splash10-0005-9460600000-1601e6986eaa62383042
Wiley ID 1453918