N-(1,3-benzodioxol-5-yl)-2-[(7-ethyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide

SpectraBase Compound ID	KMAqSvafc8m
InChI	InChI=1S/C18H19N5O5S/c1-4-23-14-15(21(2)18(26)22(3)16(14)25)20-17(23)29-8-13(24)19-10-5-6-11-12(7-10)28-9-27-11/h5-7H,4,8-9H2,1-3H3,(H,19,24)
InChIKey	UKNDPKGPQIERCW-UHFFFAOYSA-N Google Search
Mol Weight	417.44 g/mol
Molecular Formula	C18H19N5O5S
Exact Mass	417.11069 g/mol

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SpectraBase Spectrum ID	BHN7olYVd5f
Name	N-(1,3-benzodioxol-5-yl)-2-[(7-ethyl-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/C18H19N5O5S/c1-4-23-14-15(21(2)18(26)22(3)16(14)25)20-17(23)29-8-13(24)19-10-5-6-11-12(7-10)28-9-27-11/h5-7H,4,8-9H2,1-3H3,(H,19,24)
InChIKey	UKNDPKGPQIERCW-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_6089
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/11242300; Labnumber: SAD-0002944; IOH_ID: IOH-006090