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N-[4-(aminosulfonyl)phenyl]-2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
SpectraBase Compound ID CJ3Z411eoni
InChI InChI=1S/C20H18N6O3S2/c1-13-2-6-15(7-3-13)26-19-17(10-24-26)20(23-12-22-19)30-11-18(27)25-14-4-8-16(9-5-14)31(21,28)29/h2-10,12H,11H2,1H3,(H,25,27)(H2,21,28,29)
InChIKey CUJPZHVMBDIEIA-UHFFFAOYSA-N
Mol Weight 454.52 g/mol
Molecular Formula C20H18N6O3S2
Exact Mass 454.088181 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8HYPdcvPciP
Name N-[4-(aminosulfonyl)phenyl]-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/C20H18N6O3S2/c1-13-2-6-15(7-3-13)26-19-17(10-24-26)20(23-12-22-19)30-11-18(27)25-14-4-8-16(9-5-14)31(21,28)29/h2-10,12H,11H2,1H3,(H,25,27)(H2,21,28,29)
InChIKey CUJPZHVMBDIEIA-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9921
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: D62195; Labnumber: UDSG-05861; SBI_ID: SBI-009924
Temperature 315 °C