({7-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid

SpectraBase Compound ID	2DshyYqr3Kk
InChI	InChI=1S/C17H15ClN4O6S/c1-20-14-13(15(25)21(2)17(20)26)22(16(19-14)29-6-12(23)24)5-8-3-10-11(4-9(8)18)28-7-27-10/h3-4H,5-7H2,1-2H3,(H,23,24)
InChIKey	SUMWHPTWHDLUCN-UHFFFAOYSA-N Google Search
Mol Weight	438.84 g/mol
Molecular Formula	C17H15ClN4O6S
Exact Mass	438.040083 g/mol

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SpectraBase Spectrum ID	JkZYf1qfitf
Name	({7-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetic acid
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/C17H15ClN4O6S/c1-20-14-13(15(25)21(2)17(20)26)22(16(19-14)29-6-12(23)24)5-8-3-10-11(4-9(8)18)28-7-27-10/h3-4H,5-7H2,1-2H3,(H,23,24)
InChIKey	SUMWHPTWHDLUCN-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7529_1250
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: ZI/8161852; Labnumber: SAD-e160179