acetic acid, [(2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purin-8-yl)thio]-, 2-(4-chlorophenyl)-2-oxoethyl ester

SpectraBase Compound ID	CNbVW61od6M
InChI	InChI=1S/C17H15ClN4O5S/c1-21-13-14(22(2)16(26)20-15(13)25)19-17(21)28-8-12(24)27-7-11(23)9-3-5-10(18)6-4-9/h3-6H,7-8H2,1-2H3,(H,20,25,26)
InChIKey	ZCVOHVSGQYDIJC-UHFFFAOYSA-N Google Search
Mol Weight	422.84 g/mol
Molecular Formula	C17H15ClN4O5S
Exact Mass	422.045168 g/mol

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SpectraBase Spectrum ID	8BxHuNMkyet
Name	acetic acid, [(2,3,6,7-tetrahydro-3,7-dimethyl-2,6-dioxo-1H-purin-8-yl)thio]-, 2-(4-chlorophenyl)-2-oxoethyl ester
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/C17H15ClN4O5S/c1-21-13-14(22(2)16(26)20-15(13)25)19-17(21)28-8-12(24)27-7-11(23)9-3-5-10(18)6-4-9/h3-6H,7-8H2,1-2H3,(H,20,25,26)
InChIKey	ZCVOHVSGQYDIJC-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB_8313_7099
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/10328375