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2-{[1-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide

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2-{[1-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide
SpectraBase Compound ID 6dNNK9DIUqh
InChI InChI=1S/C22H20BrN5OS/c1-14(2)15-3-7-17(8-4-15)27-20(29)12-30-22-19-11-26-28(21(19)24-13-25-22)18-9-5-16(23)6-10-18/h3-11,13-14H,12H2,1-2H3,(H,27,29)
InChIKey VMXCHRHOSLLBQU-UHFFFAOYSA-N
Mol Weight 482.4 g/mol
Molecular Formula C22H20BrN5OS
Exact Mass 481.057194 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K81e90XEO7l
Name 2-{[1-(4-Bromophenyl)-1H-pyrazolo[3,4-D]pyrimidin-4-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 481.057194457 u
Formula C22H20BrN5OS
InChI InChI=1S/C22H20BrN5OS/c1-14(2)15-3-7-17(8-4-15)27-20(29)12-30-22-19-11-26-28(21(19)24-13-25-22)18-9-5-16(23)6-10-18/h3-11,13-14H,12H2,1-2H3,(H,27,29)
InChIKey VMXCHRHOSLLBQU-UHFFFAOYSA-N
Molecular Weight 482.400 g/mol
SMILES N(C(CSC=1C2=C(N(N=C2)C=2C=CC(=CC2)Br)N=CN1)=O)C=1C=CC(=CC1)C(C)C