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N-(3,4-dimethoxyphenyl)-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide
SpectraBase Compound ID LHeAbKpHpbS
InChI InChI=1S/C21H19N5O3S/c1-28-17-9-8-14(10-18(17)29-2)25-19(27)12-30-21-16-11-24-26(20(16)22-13-23-21)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,25,27)
InChIKey BJJPGTMNMXNVCN-UHFFFAOYSA-N
Mol Weight 421.48 g/mol
Molecular Formula C21H19N5O3S
Exact Mass 421.120861 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LR36nmlcnRj
Name N-(3,4-dimethoxyphenyl)-2-[(1-phenyl-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/C21H19N5O3S/c1-28-17-9-8-14(10-18(17)29-2)25-19(27)12-30-21-16-11-24-26(20(16)22-13-23-21)15-6-4-3-5-7-15/h3-11,13H,12H2,1-2H3,(H,25,27)
InChIKey BJJPGTMNMXNVCN-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26181
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: D62076; Labnumber: UDSG-05698; SBI_ID: SBI-026185
Temperature 308 °C