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N-[4-(aminosulfonyl)phenyl]-2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide
SpectraBase Compound ID BvJyYbERpqb
InChI InChI=1S/C20H18N6O3S2/c21-31(28,29)16-8-6-15(7-9-16)25-18(27)12-30-20-17-10-24-26(19(17)22-13-23-20)11-14-4-2-1-3-5-14/h1-10,13H,11-12H2,(H,25,27)(H2,21,28,29)
InChIKey QNIKDLFJPCQYGD-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 DATmehurMsA
Name N-[4-(aminosulfonyl)phenyl]-2-[(1-benzyl-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/c21-31(28,29)16-8-6-15(7-9-16)25-18(27)12-30-20-17-10-24-26(19(17)22-13-23-20)11-14-4-2-1-3-5-14/h1-10,13H,11-12H2,(H,25,27)(H2,21,28,29)
InChIKey QNIKDLFJPCQYGD-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10051
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: D62475; Labnumber: UDSG-06681; SBI_ID: SBI-010054
Temperature 318 °C