7-[(2E)-3-chloro-2-butenyl]-8-[4-(2-hydroxyethyl)-1-piperazinyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

SpectraBase Compound ID	KhId40DLUbC
InChI	InChI=1S/C17H25ClN6O3/c1-12(18)4-5-24-13-14(20(2)17(27)21(3)15(13)26)19-16(24)23-8-6-22(7-9-23)10-11-25/h4,25H,5-11H2,1-3H3/b12-4+
InChIKey	BMBGLPDZQVNYFX-UUILKARUSA-N Google Search
Mol Weight	396.88 g/mol
Molecular Formula	C17H25ClN6O3
Exact Mass	396.167666 g/mol

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SpectraBase Spectrum ID	HYrSCjfZC0C
Name	7-[(2E)-3-chloro-2-butenyl]-8-[4-(2-hydroxyethyl)-1-piperazinyl]-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/C17H25ClN6O3/c1-12(18)4-5-24-13-14(20(2)17(27)21(3)15(13)26)19-16(24)23-8-6-22(7-9-23)10-11-25/h4,25H,5-11H2,1-3H3/b12-4+
InChIKey	BMBGLPDZQVNYFX-UUILKARUSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_25058
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: D49475; Labnumber: UZROM-3812; SBI_ID: SBI-025062
Synonyms	7-[3-chloro-2-butenyl]-8-[4-(2-hydroxyethyl)-1-piperazinyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Temperature	308 °C