N-(2-chloro-4,6-dimethylphenyl)-2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide

SpectraBase Compound ID	IXwakuf8Sp0
InChI	InChI=1S/C21H17Cl2N5OS/c1-12-7-13(2)19(17(23)8-12)27-18(29)10-30-21-16-9-26-28(20(16)24-11-25-21)15-5-3-14(22)4-6-15/h3-9,11H,10H2,1-2H3,(H,27,29)
InChIKey	TYGLLKKSENLUNF-UHFFFAOYSA-N Google Search
Mol Weight	458.37 g/mol
Molecular Formula	C21H17Cl2N5OS
Exact Mass	457.053087 g/mol

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SpectraBase Spectrum ID	Ia7TTJYpGS8
Name	N-(2-chloro-4,6-dimethylphenyl)-2-{[1-(4-chlorophenyl)-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/C21H17Cl2N5OS/c1-12-7-13(2)19(17(23)8-12)27-18(29)10-30-21-16-9-26-28(20(16)24-11-25-21)15-5-3-14(22)4-6-15/h3-9,11H,10H2,1-2H3,(H,27,29)
InChIKey	TYGLLKKSENLUNF-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_10005
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: D62374; Labnumber: UDSG-06270; SBI_ID: SBI-010008
Temperature	308 °C