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

View entire compound with spectra: 2 NMR

N-(2-bromo-4,6-difluorophenyl)-2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
SpectraBase Compound ID myf0LDsAKa
InChI InChI=1S/C20H14BrF2N5OS/c1-11-2-4-13(5-3-11)28-19-14(8-26-28)20(25-10-24-19)30-9-17(29)27-18-15(21)6-12(22)7-16(18)23/h2-8,10H,9H2,1H3,(H,27,29)
InChIKey YISUWFVYRDJGDR-UHFFFAOYSA-N
Mol Weight 490.33 g/mol
Molecular Formula C20H14BrF2N5OS
Exact Mass 489.007051 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7wxpKDywnjC
Name N-(2-Bromo-4,6-difluorophenyl)-2-{[1-(4-methylphenyl)-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 489.007050590 u
Formula C20H14BrF2N5OS
InChI InChI=1S/C20H14BrF2N5OS/c1-11-2-4-13(5-3-11)28-19-14(8-26-28)20(25-10-24-19)30-9-17(29)27-18-15(21)6-12(22)7-16(18)23/h2-8,10H,9H2,1H3,(H,27,29)
InChIKey YISUWFVYRDJGDR-UHFFFAOYSA-N
Molecular Weight 490.327 g/mol
SMILES N(C1=C(C=C(C=C1F)F)Br)C(CSC=1C2=C(N(N=C2)C2=CC=C(C=C2)C)N=CN1)=O