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7-[chloranyl-bis(fluoranyl)methyl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SpectraBase Compound ID GSBCPXnKHit
InChI InChI=1S/C22H16ClF2N5O2S/c23-22(24,25)18-9-14(16-6-4-8-32-16)27-19-10-15(29-30(18)19)20(31)28-21-13(11-26)12-5-2-1-3-7-17(12)33-21/h4,6,8-10H,1-3,5,7H2,(H,28,31)
InChIKey BAMXBFLPNULUET-UHFFFAOYSA-N
Mol Weight 487.91 g/mol
Molecular Formula C22H16ClF2N5O2S
Exact Mass 487.06813 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CTxb7sFFQsH
Name 7-[chloranyl-bis(fluoranyl)methyl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
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Formula C22H16ClF2N5O2S
InChI InChI=1S/C22H16ClF2N5O2S/c23-22(24,25)18-9-14(16-6-4-8-32-16)27-19-10-15(29-30(18)19)20(31)28-21-13(11-26)12-5-2-1-3-7-17(12)33-21/h4,6,8-10H,1-3,5,7H2,(H,28,31)
InChIKey BAMXBFLPNULUET-UHFFFAOYSA-N
Molecular Weight 487.913 g/mol
SMILES N(c1c(c2CCCCCc2s1)C#N)C(c1n[n]2C(=CC(=Nc2c1)c1occc1)C(Cl)(F)F)=O
SPLASH splash10-0002-9560100000-0d104c9a72ece48da75a
Synonyms 7-[chloro(difluoro)methyl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-(2-furanyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide 7-[chloro(difluoro)methyl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-(2-furyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide 7-[chloro(difluoro)methyl]-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Wiley ID 1453922