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

SpectraBase Compound ID	Al30mcmn2lT
InChI	InChI=1S/C21H15ClF3N5OS/c1-12-2-5-14(6-3-12)30-19-15(9-28-30)20(27-11-26-19)32-10-18(31)29-17-8-13(21(23,24)25)4-7-16(17)22/h2-9,11H,10H2,1H3,(H,29,31)
InChIKey	OBKRFAZQYNZWDG-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	8kyWlxR9tvg
Name	N-[2-chloro-5-(trifluoromethyl)phenyl]-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/C21H15ClF3N5OS/c1-12-2-5-14(6-3-12)30-19-15(9-28-30)20(27-11-26-19)32-10-18(31)29-17-8-13(21(23,24)25)4-7-16(17)22/h2-9,11H,10H2,1H3,(H,29,31)
InChIKey	OBKRFAZQYNZWDG-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_9926
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: D62202; Labnumber: UDSG-05873; SBI_ID: SBI-009929
Temperature	315 °C