8-[4-(3-chlorophenyl)-1-piperazinyl]-3-methyl-7-pentyl-3,7-dihydro-1H-purine-2,6-dione

SpectraBase Compound ID	BJBgLtQakB5
InChI	InChI=1S/C21H27ClN6O2/c1-3-4-5-9-28-17-18(25(2)21(30)24-19(17)29)23-20(28)27-12-10-26(11-13-27)16-8-6-7-15(22)14-16/h6-8,14H,3-5,9-13H2,1-2H3,(H,24,29,30)
InChIKey	ZWHCMCUJSHPCFE-UHFFFAOYSA-N Google Search
Mol Weight	430.94 g/mol
Molecular Formula	C21H27ClN6O2
Exact Mass	430.188402 g/mol

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SpectraBase Spectrum ID	4XRh6sGurfo
Name	8-[4-(3-chlorophenyl)-1-piperazinyl]-3-methyl-7-pentyl-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/C21H27ClN6O2/c1-3-4-5-9-28-17-18(25(2)21(30)24-19(17)29)23-20(28)27-12-10-26(11-13-27)16-8-6-7-15(22)14-16/h6-8,14H,3-5,9-13H2,1-2H3,(H,24,29,30)
InChIKey	ZWHCMCUJSHPCFE-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_7629
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: D31325; Labnumber: UZ01F011-2575; SBI_ID: SBI-007632
Temperature	318 °C