7-Allyl-8-[4-[(3,5-dichloro-2-pyridyl)oxy]phenoxy]-1,3-dimethyl-purine-2,6-dione

SpectraBase Compound ID	CqQiGTdR7gn
InChI	InChI=1S/C21H17Cl2N5O4/c1-4-9-28-16-17(26(2)21(30)27(3)19(16)29)25-20(28)32-14-7-5-13(6-8-14)31-18-15(23)10-12(22)11-24-18/h4-8,10-11H,1,9H2,2-3H3
InChIKey	HWIBBSOGRIWPPQ-UHFFFAOYSA-N Google Search
Mol Weight	474.3 g/mol
Molecular Formula	C21H17Cl2N5O4
Exact Mass	473.065759 g/mol

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SpectraBase Spectrum ID	EslMmBWGtnQ
Name	1H-purine-2,6-dione, 8-[4-[(3,5-dichloro-2-pyridinyl)oxy]phenoxy]-3,7-dihydro-1,3-dimethyl-7-(2-propenyl)-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	473.065759443 u
Formula	C21H17Cl2N5O4
InChI	InChI=1S/C21H17Cl2N5O4/c1-4-9-28-16-17(26(2)21(30)27(3)19(16)29)25-20(28)32-14-7-5-13(6-8-14)31-18-15(23)10-12(22)11-24-18/h4-8,10-11H,1,9H2,2-3H3
InChIKey	HWIBBSOGRIWPPQ-UHFFFAOYSA-N
Molecular Weight	474.304 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_14774
Solvent	DMSO-d6
Source	Vendor ID: NMR/10310680; Lab Info: SAD; Lab Number: 14