2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

SpectraBase Compound ID	JweXQRvxcqi
InChI	InChI=1S/C21H15ClF3N5OS/c22-16-7-6-14(21(23,24)25)8-17(16)29-18(31)11-32-20-15-9-28-30(19(15)26-12-27-20)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,29,31)
InChIKey	VTSVWGMGZTVRGO-UHFFFAOYSA-N Google Search
Mol Weight	477.89 g/mol
Molecular Formula	C21H15ClF3N5OS
Exact Mass	477.063793 g/mol

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SpectraBase Spectrum ID	Fbnj2VcYnTz
Name	2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]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/C21H15ClF3N5OS/c22-16-7-6-14(21(23,24)25)8-17(16)29-18(31)11-32-20-15-9-28-30(19(15)26-12-27-20)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,29,31)
InChIKey	VTSVWGMGZTVRGO-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_10057
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: D62482; Labnumber: UDSG-06693; SBI_ID: SBI-010060
Temperature	318 °C