7-(4-chlorobenzyl)-8-[(2-chloro-6-fluorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

SpectraBase Compound ID	HLhVdzJTKUi
InChI	InChI=1S/C21H17Cl2FN4O2S/c1-26-18-17(19(29)27(2)21(26)30)28(10-12-6-8-13(22)9-7-12)20(25-18)31-11-14-15(23)4-3-5-16(14)24/h3-9H,10-11H2,1-2H3
InChIKey	PIDXWILFAFSMNQ-UHFFFAOYSA-N Google Search
Mol Weight	479.36 g/mol
Molecular Formula	C21H17Cl2FN4O2S
Exact Mass	478.043331 g/mol

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SpectraBase Spectrum ID	11UbjAzPfaQ
Name	7-(4-chlorobenzyl)-8-[(2-chloro-6-fluorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
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/C21H17Cl2FN4O2S/c1-26-18-17(19(29)27(2)21(26)30)28(10-12-6-8-13(22)9-7-12)20(25-18)31-11-14-15(23)4-3-5-16(14)24/h3-9H,10-11H2,1-2H3
InChIKey	PIDXWILFAFSMNQ-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_ASIOH_7000_6116
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/11242342; Labnumber: SAD-0002991; IOH_ID: IOH-006117