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

SpectraBase Compound ID	9pzxwI8bWOx
InChI	InChI=1S/C22H20ClN5O2S/c1-14-8-18(19(30-2)9-17(14)23)27-20(29)12-31-22-16-10-26-28(21(16)24-13-25-22)11-15-6-4-3-5-7-15/h3-10,13H,11-12H2,1-2H3,(H,27,29)
InChIKey	CTYIFVYAGGYRJQ-UHFFFAOYSA-N Google Search
Mol Weight	453.95 g/mol
Molecular Formula	C22H20ClN5O2S
Exact Mass	453.102624 g/mol

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SpectraBase Spectrum ID	FnJhiNFYXPl
Name	2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(4-chloro-2-methoxy-5-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/C22H20ClN5O2S/c1-14-8-18(19(30-2)9-17(14)23)27-20(29)12-31-22-16-10-26-28(21(16)24-13-25-22)11-15-6-4-3-5-7-15/h3-10,13H,11-12H2,1-2H3,(H,27,29)
InChIKey	CTYIFVYAGGYRJQ-UHFFFAOYSA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_26222
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: D62530; Labnumber: UDSG-06765; SBI_ID: SBI-026226
Temperature	308 °C