7-(2-Chlorobenzyl)-8-[(2-keto-2-morpholino-ethyl)thio]-1,3-dimethyl-xanthine

SpectraBase Compound ID	ADhw7tvcTqs
InChI	InChI=1S/C20H22ClN5O4S/c1-23-17-16(18(28)24(2)20(23)29)26(11-13-5-3-4-6-14(13)21)19(22-17)31-12-15(27)25-7-9-30-10-8-25/h3-6H,7-12H2,1-2H3
InChIKey	XKNFAQOSUCMRRQ-UHFFFAOYSA-N Google Search
Mol Weight	463.94 g/mol
Molecular Formula	C20H22ClN5O4S
Exact Mass	463.108103 g/mol

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SpectraBase Spectrum ID	FRnc6pkVgxi
Name	1H-purine-2,6-dione, 7-[(2-chlorophenyl)methyl]-3,7-dihydro-1,3-dimethyl-8-[[2-(4-morpholinyl)-2-oxoethyl]thio]-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	463.108103078 u
Formula	C20H22ClN5O4S
InChI	InChI=1S/C20H22ClN5O4S/c1-23-17-16(18(28)24(2)20(23)29)26(11-13-5-3-4-6-14(13)21)19(22-17)31-12-15(27)25-7-9-30-10-8-25/h3-6H,7-12H2,1-2H3
InChIKey	XKNFAQOSUCMRRQ-UHFFFAOYSA-N
Molecular Weight	463.940 g/mol
NMR Offset	18.0059
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_10337
Solvent	DMSO-d6
Source	Vendor ID: NMR/10241190; Lab Info: SAD; Lab Number: SAD-0001816
Temperature	23.85 °C