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benzoic acid, 2-[[[7-(chlorodifluoromethyl)-5-(2-thienyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl]amino]-, methyl ester
SpectraBase Compound ID 9KYBF4aiqxf
InChI InChI=1S/C20H13ClF2N4O3S/c1-30-19(29)11-5-2-3-6-12(11)25-18(28)14-10-17-24-13(15-7-4-8-31-15)9-16(20(21,22)23)27(17)26-14/h2-10H,1H3,(H,25,28)
InChIKey HKEOBIWSALDRTA-UHFFFAOYSA-N
Mol Weight 462.86 g/mol
Molecular Formula C20H13ClF2N4O3S
Exact Mass 462.036495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BWLPY7ChqnD
Name 2-[[7-[chloro(difluoro)methyl]-5-(2-thienyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]benzoic acid methyl ester
Alternate Name(s) 2-[[[7-[chloro(difluoro)methyl]-5-thiophen-2-yl-2-pyrazolo[1,5-a]pyrimidinyl]-oxomethyl]amino]benzoic acid methyl ester Methyl 2-[[7-[chloranyl-bis(fluoranyl)methyl]-5-thiophen-2-yl-pyrazolo[1,5-a]pyrimidin-2-yl]carbonylamino]benzoate Methyl 2-[[7-[chloro(difluoro)methyl]-5-(2-thienyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]benzoate Methyl 2-[[7-[chloro(difluoro)methyl]-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]benzoate
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Formula C20H13ClF2N4O3S
InChI InChI=1S/C20H13ClF2N4O3S/c1-30-19(29)11-5-2-3-6-12(11)25-18(28)14-10-17-24-13(15-7-4-8-31-15)9-16(20(21,22)23)27(17)26-14/h2-10H,1H3,(H,25,28)
InChIKey HKEOBIWSALDRTA-UHFFFAOYSA-N
Molecular Weight 462.859 g/mol
SMILES N(C(c1n[n]2C(=CC(=Nc2c1)c1sccc1)C(Cl)(F)F)=O)c1c(C(=O)OC)cccc1
SPLASH splash10-03di-9524800000-e4d004a0a462acb0ea7f
Wiley ID 1453828