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2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(2-chloro-4,6-dimethylphenyl)acetamide

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2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(2-chloro-4,6-dimethylphenyl)acetamide
SpectraBase Compound ID EgG1ilIlikK
InChI InChI=1S/C22H20ClN5OS/c1-14-8-15(2)20(18(23)9-14)27-19(29)12-30-22-17-10-26-28(21(17)24-13-25-22)11-16-6-4-3-5-7-16/h3-10,13H,11-12H2,1-2H3,(H,27,29)
InChIKey FKNUIXXXSJRIDG-UHFFFAOYSA-N
Mol Weight 437.95 g/mol
Molecular Formula C22H20ClN5OS
Exact Mass 437.107709 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KHeZV0YmyQu
Name 2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(2-chloro-4,6-dimethylphenyl)acetamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H20ClN5OS/c1-14-8-15(2)20(18(23)9-14)27-19(29)12-30-22-17-10-26-28(21(17)24-13-25-22)11-16-6-4-3-5-7-16/h3-10,13H,11-12H2,1-2H3,(H,27,29)
InChIKey FKNUIXXXSJRIDG-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26221
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D62529; Labnumber: UDSG-06762; SBI_ID: SBI-026225
Temperature 308 °C