N-(2-chloro-4,6-dimethylphenyl)-2-{[1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide

SpectraBase Compound ID	8ajfUxqHcnn
InChI	InChI=1S/C22H20ClN5OS/c1-13-4-6-16(7-5-13)28-21-17(10-26-28)22(25-12-24-21)30-11-19(29)27-20-15(3)8-14(2)9-18(20)23/h4-10,12H,11H2,1-3H3,(H,27,29)
InChIKey	RCDJUAGCBUXGBT-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	9opgThPy6Ji
Name	N-(2-chloro-4,6-dimethylphenyl)-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/C22H20ClN5OS/c1-13-4-6-16(7-5-13)28-21-17(10-26-28)22(25-12-24-21)30-11-19(29)27-20-15(3)8-14(2)9-18(20)23/h4-10,12H,11H2,1-3H3,(H,27,29)
InChIKey	RCDJUAGCBUXGBT-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_9955
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: D62252; Labnumber: UDSG-05942; SBI_ID: SBI-009958
Temperature	315 °C