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

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N-(3-chloro-2-methylphenyl)-2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
SpectraBase Compound ID DvKKfQpbdGw
InChI InChI=1S/C21H18ClN5OS/c1-13-6-8-15(9-7-13)27-20-16(10-25-27)21(24-12-23-20)29-11-19(28)26-18-5-3-4-17(22)14(18)2/h3-10,12H,11H2,1-2H3,(H,26,28)
InChIKey GNGNEEQRUMJSOV-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 5UkVz6smG6Z
Name N-(3-chloro-2-methylphenyl)-2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}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/c1-13-6-8-15(9-7-13)27-20-16(10-25-27)21(24-12-23-20)29-11-19(28)26-18-5-3-4-17(22)14(18)2/h3-10,12H,11H2,1-2H3,(H,26,28)
InChIKey GNGNEEQRUMJSOV-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9961
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: D62261; Labnumber: UDSG-05954; SBI_ID: SBI-009964
Temperature 315 °C