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N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
SpectraBase Compound ID BLk0iInhdFU
InChI InChI=1S/C22H19N5O3S/c1-14-2-5-16(6-3-14)27-21-17(11-25-27)22(24-13-23-21)31-12-20(28)26-15-4-7-18-19(10-15)30-9-8-29-18/h2-7,10-11,13H,8-9,12H2,1H3,(H,26,28)
InChIKey BDTUMQAAEQYFAU-UHFFFAOYSA-N
Mol Weight 433.49 g/mol
Molecular Formula C22H19N5O3S
Exact Mass 433.120861 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BYwl0tiiFTO
Name N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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/C22H19N5O3S/c1-14-2-5-16(6-3-14)27-21-17(11-25-27)22(24-13-23-21)31-12-20(28)26-15-4-7-18-19(10-15)30-9-8-29-18/h2-7,10-11,13H,8-9,12H2,1H3,(H,26,28)
InChIKey BDTUMQAAEQYFAU-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9911
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: D62183; Labnumber: UDSG-05848; SBI_ID: SBI-009914
Temperature 315 °C