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

SpectraBase Compound ID	1Qy2hAJy9bO
InChI	InChI=1S/C22H21N5OS/c1-14-4-8-18(9-5-14)27-21-19(11-25-27)22(24-13-23-21)29-12-20(28)26-17-7-6-15(2)16(3)10-17/h4-11,13H,12H2,1-3H3,(H,26,28)
InChIKey	SZIKYGSDZUMZMN-UHFFFAOYSA-N Google Search
Mol Weight	403.5 g/mol
Molecular Formula	C22H21N5OS
Exact Mass	403.146681 g/mol

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SpectraBase Spectrum ID	KHBCPt9q0Rt
Name	N-(3,4-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/C22H21N5OS/c1-14-4-8-18(9-5-14)27-21-19(11-25-27)22(24-13-23-21)29-12-20(28)26-17-7-6-15(2)16(3)10-17/h4-11,13H,12H2,1-3H3,(H,26,28)
InChIKey	SZIKYGSDZUMZMN-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_9965
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: D62269; Labnumber: UDSG-05965; SBI_ID: SBI-009968
Temperature	315 °C