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4-carbamoyl-5-[[7-[chloro(difluoro)methyl]-5-(2-thienyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methyl-thiophene-2-carboxylic acid methyl ester
SpectraBase Compound ID FadCCcRWpmX
InChI InChI=1S/C20H14ClF2N5O4S2/c1-8-14(16(24)29)18(34-15(8)19(31)32-2)26-17(30)10-7-13-25-9(11-4-3-5-33-11)6-12(20(21,22)23)28(13)27-10/h3-7H,1-2H3,(H2,24,29)(H,26,30)
InChIKey KDVJPUDAUPMAEP-UHFFFAOYSA-N
Mol Weight 525.93 g/mol
Molecular Formula C20H14ClF2N5O4S2
Exact Mass 525.01438 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H2tc6Zl7x35
Name 4-carbamoyl-5-[[7-[chloro(difluoro)methyl]-5-(2-thienyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methyl-thiophene-2-carboxylic acid methyl ester
Alternate Name(s) 4-carbamoyl-5-[[[7-[chloro(difluoro)methyl]-5-thiophen-2-yl-2-pyrazolo[1,5-a]pyrimidinyl]-oxomethyl]amino]-3-methyl-2-thiophenecarboxylic acid methyl ester Methyl 4-aminocarbonyl-5-[[7-[chloranyl-bis(fluoranyl)methyl]-5-thiophen-2-yl-pyrazolo[1,5-a]pyrimidin-2-yl]carbonylamino]-3-methyl-thiophene-2-carboxylate Methyl 4-carbamoyl-5-[[7-[chloro(difluoro)methyl]-5-(2-thienyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methyl-thiophene-2-carboxylate Methyl 4-carbamoyl-5-[[7-[chloro(difluoro)methyl]-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-3-methylthiophene-2-carboxylate
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Formula C20H14ClF2N5O4S2
InChI InChI=1S/C20H14ClF2N5O4S2/c1-8-14(16(24)29)18(34-15(8)19(31)32-2)26-17(30)10-7-13-25-9(11-4-3-5-33-11)6-12(20(21,22)23)28(13)27-10/h3-7H,1-2H3,(H2,24,29)(H,26,30)
InChIKey KDVJPUDAUPMAEP-UHFFFAOYSA-N
Molecular Weight 525.933 g/mol
SMILES N(c1c(C(=O)N)c(c(s1)C(=O)OC)C)C(c1n[n]2C(=CC(=Nc2c1)c1sccc1)C(Cl)(F)F)=O
SPLASH splash10-03dl-9511000000-2f3921e548eb51628df0
Wiley ID 1453923