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N-(3-chloro-2-methylphenyl)-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide
SpectraBase Compound ID JY4QRVullRz
InChI InChI=1S/C20H16ClN5OS/c1-13-16(21)8-5-9-17(13)25-18(27)11-28-20-15-10-24-26(19(15)22-12-23-20)14-6-3-2-4-7-14/h2-10,12H,11H2,1H3,(H,25,27)
InChIKey HXFANCSWRGFUEV-UHFFFAOYSA-N
Mol Weight 409.9 g/mol
Molecular Formula C20H16ClN5OS
Exact Mass 409.076409 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EYA7xSYjBCb
Name N-(3-chloro-2-methylphenyl)-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/C20H16ClN5OS/c1-13-16(21)8-5-9-17(13)25-18(27)11-28-20-15-10-24-26(19(15)22-12-23-20)14-6-3-2-4-7-14/h2-10,12H,11H2,1H3,(H,25,27)
InChIKey HXFANCSWRGFUEV-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9886
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: D62139; Labnumber: UDSG-05790; SBI_ID: SBI-009889
Temperature 315 °C