2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(4-chlorophenyl)acetamide

SpectraBase Compound ID	5lF9HHXo4eY
InChI	InChI=1S/C20H16ClN5OS/c21-15-6-8-16(9-7-15)25-18(27)12-28-20-17-10-24-26(19(17)22-13-23-20)11-14-4-2-1-3-5-14/h1-10,13H,11-12H2,(H,25,27)
InChIKey	XLQCFALHFIGNAU-UHFFFAOYSA-N Google Search
Mol Weight	409.9 g/mol
Molecular Formula	C20H16ClN5OS
Exact Mass	409.076409 g/mol

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SpectraBase Spectrum ID	6CRvaXRi7S3
Name	2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(4-chlorophenyl)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/C20H16ClN5OS/c21-15-6-8-16(9-7-15)25-18(27)12-28-20-17-10-24-26(19(17)22-13-23-20)11-14-4-2-1-3-5-14/h1-10,13H,11-12H2,(H,25,27)
InChIKey	XLQCFALHFIGNAU-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_10065
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: D62492; Labnumber: UDSG-06704; SBI_ID: SBI-010068
Temperature	318 °C