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

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2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)acetamide
SpectraBase Compound ID JFIXSrO1DY
InChI InChI=1S/C21H18ClN5O3S/c1-29-17-8-5-14(9-18(17)30-2)26-19(28)11-31-21-16-10-25-27(20(16)23-12-24-21)15-6-3-13(22)4-7-15/h3-10,12H,11H2,1-2H3,(H,26,28)
InChIKey NEOMJVIJTGRVBR-UHFFFAOYSA-N
Mol Weight 455.92 g/mol
Molecular Formula C21H18ClN5O3S
Exact Mass 455.081888 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 64rOr17FIf2
Name 2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(3,4-dimethoxyphenyl)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/C21H18ClN5O3S/c1-29-17-8-5-14(9-18(17)30-2)26-19(28)11-31-21-16-10-25-27(20(16)23-12-24-21)15-6-3-13(22)4-7-15/h3-10,12H,11H2,1-2H3,(H,26,28)
InChIKey NEOMJVIJTGRVBR-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9981
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: D62319; Labnumber: UDSG-06190; SBI_ID: SBI-009984
Temperature 308 °C