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

SpectraBase Compound ID	JG5nv3dItiO
InChI	InChI=1S/C22H21N5O2S/c1-2-29-18-10-8-17(9-11-18)26-20(28)14-30-22-19-12-25-27(21(19)23-15-24-22)13-16-6-4-3-5-7-16/h3-12,15H,2,13-14H2,1H3,(H,26,28)
InChIKey	BADYHIYLNNYRAV-UHFFFAOYSA-N Google Search
Mol Weight	419.5 g/mol
Molecular Formula	C22H21N5O2S
Exact Mass	419.141596 g/mol

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SpectraBase Spectrum ID	Au4IvI6sRyU
Name	2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(4-ethoxyphenyl)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/C22H21N5O2S/c1-2-29-18-10-8-17(9-11-18)26-20(28)14-30-22-19-12-25-27(21(19)23-15-24-22)13-16-6-4-3-5-7-16/h3-12,15H,2,13-14H2,1H3,(H,26,28)
InChIKey	BADYHIYLNNYRAV-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_10039
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: D62462; Labnumber: UDSG-06667; SBI_ID: SBI-010042
Temperature	318 °C