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

View entire compound with spectra: 2 NMR

N-(2-isopropylphenyl)-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide
SpectraBase Compound ID 9eGYGm2FbZw
InChI InChI=1S/C22H21N5OS/c1-15(2)17-10-6-7-11-19(17)26-20(28)13-29-22-18-12-25-27(21(18)23-14-24-22)16-8-4-3-5-9-16/h3-12,14-15H,13H2,1-2H3,(H,26,28)
InChIKey QTFJEIGAQLCGEY-UHFFFAOYSA-N
Mol Weight 403.5 g/mol
Molecular Formula C22H21N5OS
Exact Mass 403.146681 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EBLNAwavNVk
Name N-(2-Isopropylphenyl)-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 403.146681489 u
Formula C22H21N5OS
InChI InChI=1S/C22H21N5OS/c1-15(2)17-10-6-7-11-19(17)26-20(28)13-29-22-18-12-25-27(21(18)23-14-24-22)16-8-4-3-5-9-16/h3-12,14-15H,13H2,1-2H3,(H,26,28)
InChIKey QTFJEIGAQLCGEY-UHFFFAOYSA-N
Molecular Weight 403.504 g/mol
SMILES N(C1=C(C(C)C)C=CC=C1)C(CSC=1C2=C(N(N=C2)C2=CC=CC=C2)N=CN1)=O