4-[(2,5-dimethylbenzyl)sulfanyl]-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine

SpectraBase Compound ID	DS9G3oeeV21
InChI	InChI=1S/C21H20N4S/c1-14-5-8-18(9-6-14)25-20-19(11-24-25)21(23-13-22-20)26-12-17-10-15(2)4-7-16(17)3/h4-11,13H,12H2,1-3H3
InChIKey	LZWPDSLNHDIDOM-UHFFFAOYSA-N Google Search
Mol Weight	360.48 g/mol
Molecular Formula	C21H20N4S
Exact Mass	360.140868 g/mol

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SpectraBase Spectrum ID	KkMIrBf2VOv
Name	4-[(2,5-dimethylbenzyl)sulfanyl]-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidine
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/C21H20N4S/c1-14-5-8-18(9-6-14)25-20-19(11-24-25)21(23-13-22-20)26-12-17-10-15(2)4-7-16(17)3/h4-11,13H,12H2,1-3H3
InChIKey	LZWPDSLNHDIDOM-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_9960
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: D62258; Labnumber: UDSG-05951; SBI_ID: SBI-009963
Synonyms	2,5-dimethylbenzyl 1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl sulfide
Temperature	315 °C