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2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
SpectraBase Compound ID 5NXPtXfKEti
InChI InChI=1S/C21H18ClN5OS/c1-13-7-14(2)9-16(8-13)26-19(28)11-29-21-18-10-25-27(20(18)23-12-24-21)17-5-3-15(22)4-6-17/h3-10,12H,11H2,1-2H3,(H,26,28)
InChIKey AJPHKKPZXUILQG-UHFFFAOYSA-N
Mol Weight 423.92 g/mol
Molecular Formula C21H18ClN5OS
Exact Mass 423.092059 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID nRd6E6Tzd3
Name 2-{[1-(4-chlorophenyl)-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/C21H18ClN5OS/c1-13-7-14(2)9-16(8-13)26-19(28)11-29-21-18-10-25-27(20(18)23-12-24-21)17-5-3-15(22)4-6-17/h3-10,12H,11H2,1-2H3,(H,26,28)
InChIKey AJPHKKPZXUILQG-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9992
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: D62339; Labnumber: UDSG-06216; SBI_ID: SBI-009995
Temperature 308 °C