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2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide

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2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide
SpectraBase Compound ID 3xK3ws8FUB2
InChI InChI=1S/C22H21N5OS/c1-15-8-16(2)10-18(9-15)26-20(28)13-29-22-19-11-25-27(21(19)23-14-24-22)12-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,26,28)
InChIKey DDWOGPZNWSHWSB-UHFFFAOYSA-N
Mol Weight 403.5 g/mol
Molecular Formula C22H21N5OS
Exact Mass 403.146681 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 44L80w4gTZ5
Name 2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(3,5-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/C22H21N5OS/c1-15-8-16(2)10-18(9-15)26-20(28)13-29-22-19-11-25-27(21(19)23-14-24-22)12-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,26,28)
InChIKey DDWOGPZNWSHWSB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10069
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: D62496; Labnumber: UDSG-06708; SBI_ID: SBI-010072
Temperature 318 °C