1-[1-(4-chlorobenzyl)-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]-4-piperidinecarboxamide

SpectraBase Compound ID	EBpyXK0hOS9
InChI	InChI=1S/C20H23ClN6O3/c1-24-15-17(23-19(24)26-9-7-13(8-10-26)16(22)28)25(2)20(30)27(18(15)29)11-12-3-5-14(21)6-4-12/h3-6,13H,7-11H2,1-2H3,(H2,22,28)
InChIKey	SHCDMMPFJOFMLL-UHFFFAOYSA-N Google Search
Mol Weight	430.9 g/mol
Molecular Formula	C20H23ClN6O3
Exact Mass	430.152016 g/mol

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SpectraBase Spectrum ID	4hk4tJQlAjm
Name	1-[1-(4-chlorobenzyl)-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]-4-piperidinecarboxamide
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/C20H23ClN6O3/c1-24-15-17(23-19(24)26-9-7-13(8-10-26)16(22)28)25(2)20(30)27(18(15)29)11-12-3-5-14(21)6-4-12/h3-6,13H,7-11H2,1-2H3,(H2,22,28)
InChIKey	SHCDMMPFJOFMLL-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_25708
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: D60597; Labnumber: LRP02-0773; SBI_ID: SBI-025712
Temperature	308 °C