N-(tert-butyl)-2-{[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetamide

SpectraBase Compound ID	D3XPxcjbXVy
InChI	InChI=1S/C20H24ClN5O3S/c1-20(2,3)23-14(27)11-30-18-22-16-15(17(28)25(5)19(29)24(16)4)26(18)10-12-8-6-7-9-13(12)21/h6-9H,10-11H2,1-5H3,(H,23,27)
InChIKey	CBCMCJVZLINICW-UHFFFAOYSA-N Google Search
Mol Weight	449.96 g/mol
Molecular Formula	C20H24ClN5O3S
Exact Mass	449.128839 g/mol

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SpectraBase Spectrum ID	rolsOz7zGr
Name	N-(tert-butyl)-2-{[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-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/C20H24ClN5O3S/c1-20(2,3)23-14(27)11-30-18-22-16-15(17(28)25(5)19(29)24(16)4)26(18)10-12-8-6-7-9-13(12)21/h6-9H,10-11H2,1-5H3,(H,23,27)
InChIKey	CBCMCJVZLINICW-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_4944
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: NMR/10311053; Labnumber: SAD-002529; IOH_ID: IOH-004945