4-[({[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]benzamide

SpectraBase Compound ID	5SIxsQRXjG2
InChI	InChI=1S/C21H18N6O2S/c1-13-2-8-16(9-3-13)27-20-17(10-25-27)21(24-12-23-20)30-11-18(28)26-15-6-4-14(5-7-15)19(22)29/h2-10,12H,11H2,1H3,(H2,22,29)(H,26,28)
InChIKey	YICPQKIIZVIGNG-UHFFFAOYSA-N Google Search
Mol Weight	418.48 g/mol
Molecular Formula	C21H18N6O2S
Exact Mass	418.121195 g/mol

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SpectraBase Spectrum ID	Hli7ttlIny9
Name	4-[({[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetyl)amino]benzamide
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/C21H18N6O2S/c1-13-2-8-16(9-3-13)27-20-17(10-25-27)21(24-12-23-20)30-11-18(28)26-15-6-4-14(5-7-15)19(22)29/h2-10,12H,11H2,1H3,(H2,22,29)(H,26,28)
InChIKey	YICPQKIIZVIGNG-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_9912
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: D62184; Labnumber: UDSG-05850; SBI_ID: SBI-009915
Temperature	315 °C