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N-(2-bromo-4,6-difluorophenyl)-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide

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N-(2-bromo-4,6-difluorophenyl)-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide
SpectraBase Compound ID C987o9jcg6o
InChI InChI=1S/C19H12BrF2N5OS/c20-14-6-11(21)7-15(22)17(14)26-16(28)9-29-19-13-8-25-27(18(13)23-10-24-19)12-4-2-1-3-5-12/h1-8,10H,9H2,(H,26,28)
InChIKey BJVGIVBQFBPQJT-UHFFFAOYSA-N
Mol Weight 476.3 g/mol
Molecular Formula C19H12BrF2N5OS
Exact Mass 474.991401 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ihby81vBMP8
Name N-(2-Bromo-4,6-difluorophenyl)-2-[(1-phenyl-1H-pyrazolo[3,4-D]pyrimidin-4-yl)sulfanyl]acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.991400525 u
Formula C19H12BrF2N5OS
InChI InChI=1S/C19H12BrF2N5OS/c20-14-6-11(21)7-15(22)17(14)26-16(28)9-29-19-13-8-25-27(18(13)23-10-24-19)12-4-2-1-3-5-12/h1-8,10H,9H2,(H,26,28)
InChIKey BJVGIVBQFBPQJT-UHFFFAOYSA-N
Molecular Weight 476.300 g/mol
SMILES N(C1=C(C=C(C=C1F)F)Br)C(CSC=1C2=C(N(N=C2)C2=CC=CC=C2)N=CN1)=O