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

SpectraBase Compound ID	JFnWQYG3VJY
InChI	InChI=1S/C21H18ClFN4O2S/c1-25-18-17(19(28)26(2)21(25)29)27(11-13-3-7-15(22)8-4-13)20(24-18)30-12-14-5-9-16(23)10-6-14/h3-10H,11-12H2,1-2H3
InChIKey	QBGQEIWVXPYYQC-UHFFFAOYSA-N Google Search
Mol Weight	444.91 g/mol
Molecular Formula	C21H18ClFN4O2S
Exact Mass	444.082303 g/mol

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SpectraBase Spectrum ID	696g8dnvhn8
Name	7-(4-chlorobenzyl)-8-[(4-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/C21H18ClFN4O2S/c1-25-18-17(19(28)26(2)21(25)29)27(11-13-3-7-15(22)8-4-13)20(24-18)30-12-14-5-9-16(23)10-6-14/h3-10H,11-12H2,1-2H3
InChIKey	QBGQEIWVXPYYQC-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_20214
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: D16399; Labnumber: UZROM-3521; SBI_ID: SBI-020218
Temperature	318 °C