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

SpectraBase Compound ID	5qDGVFVVa6p
InChI	InChI=1S/C22H20ClN5OS/c1-13-8-14(2)20(15(3)9-13)27-19(29)11-30-22-18-10-26-28(21(18)24-12-25-22)17-6-4-16(23)5-7-17/h4-10,12H,11H2,1-3H3,(H,27,29)
InChIKey	SCUCGVQRKKSELB-UHFFFAOYSA-N Google Search
Mol Weight	437.95 g/mol
Molecular Formula	C22H20ClN5OS
Exact Mass	437.107709 g/mol

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SpectraBase Spectrum ID	9Rtzh3DxHLh
Name	2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-mesitylacetamide
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/C22H20ClN5OS/c1-13-8-14(2)20(15(3)9-13)27-19(29)11-30-22-18-10-26-28(21(18)24-12-25-22)17-6-4-16(23)5-7-17/h4-10,12H,11H2,1-3H3,(H,27,29)
InChIKey	SCUCGVQRKKSELB-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_10010
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: D62385; Labnumber: UDSG-06284; SBI_ID: SBI-010013
Temperature	308 °C