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7-[3-(4-bromophenoxy)-2-hydroxypropyl]-8-[4-(2-hydroxyethyl)-1-piperazinyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID AF6OIu7SHub
InChI InChI=1S/C21H27BrN6O5/c1-25-18-17(19(31)24-21(25)32)28(12-15(30)13-33-16-4-2-14(22)3-5-16)20(23-18)27-8-6-26(7-9-27)10-11-29/h2-5,15,29-30H,6-13H2,1H3,(H,24,31,32)
InChIKey HOEPTVLXHLWXKX-UHFFFAOYSA-N
Mol Weight 523.39 g/mol
Molecular Formula C21H27BrN6O5
Exact Mass 522.122631 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BteIxE3OcQp
Name 7-[3-(4-bromophenoxy)-2-hydroxypropyl]-8-[4-(2-hydroxyethyl)-1-piperazinyl]-3-methyl-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/C21H27BrN6O5/c1-25-18-17(19(31)24-21(25)32)28(12-15(30)13-33-16-4-2-14(22)3-5-16)20(23-18)27-8-6-26(7-9-27)10-11-29/h2-5,15,29-30H,6-13H2,1H3,(H,24,31,32)
InChIKey HOEPTVLXHLWXKX-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20182
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: D16361; Labnumber: UZROM-3478; SBI_ID: SBI-020186
Temperature 318 °C