2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(4-bromo-2-methylphenyl)acetamide

SpectraBase Compound ID	8RFRDJz8E5u
InChI	InChI=1S/C21H18BrN5OS/c1-14-9-16(22)7-8-18(14)26-19(28)12-29-21-17-10-25-27(20(17)23-13-24-21)11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,26,28)
InChIKey	LVNPBGSNTHTTRY-UHFFFAOYSA-N Google Search
Mol Weight	468.37 g/mol
Molecular Formula	C21H18BrN5OS
Exact Mass	467.041544 g/mol

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SpectraBase Spectrum ID	bfMsbXKIPC
Name	2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(4-bromo-2-methylphenyl)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/C21H18BrN5OS/c1-14-9-16(22)7-8-18(14)26-19(28)12-29-21-17-10-25-27(20(17)23-13-24-21)11-15-5-3-2-4-6-15/h2-10,13H,11-12H2,1H3,(H,26,28)
InChIKey	LVNPBGSNTHTTRY-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_26211
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: D62518; Labnumber: UDSG-06748; SBI_ID: SBI-026215
Temperature	308 °C