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

SpectraBase Compound ID	3qQFt4F15bQ
InChI	InChI=1S/C20H15ClFN5OS/c1-12-2-5-14(6-3-12)27-19-15(9-25-27)20(24-11-23-19)29-10-18(28)26-13-4-7-17(22)16(21)8-13/h2-9,11H,10H2,1H3,(H,26,28)
InChIKey	PPMQXDSWJJSKQW-UHFFFAOYSA-N Google Search
Mol Weight	427.89 g/mol
Molecular Formula	C20H15ClFN5OS
Exact Mass	427.066987 g/mol

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SpectraBase Spectrum ID	EQ2QMw3LAwY
Name	N-(3-chloro-4-fluorophenyl)-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/C20H15ClFN5OS/c1-12-2-5-14(6-3-12)27-19-15(9-25-27)20(24-11-23-19)29-10-18(28)26-13-4-7-17(22)16(21)8-13/h2-9,11H,10H2,1H3,(H,26,28)
InChIKey	PPMQXDSWJJSKQW-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_9943
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: D62230; Labnumber: UDSG-05910; SBI_ID: SBI-009946
Temperature	315 °C