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1-(3-bromobenzyl)-8-(hexylamino)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione

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1-(3-bromobenzyl)-8-(hexylamino)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID MyHkgpXh8x
InChI InChI=1S/C20H26BrN5O2/c1-4-5-6-7-11-22-19-23-17-16(24(19)2)18(27)26(20(28)25(17)3)13-14-9-8-10-15(21)12-14/h8-10,12H,4-7,11,13H2,1-3H3,(H,22,23)
InChIKey HGVGQUPWSUCYRQ-UHFFFAOYSA-N
Mol Weight 448.37 g/mol
Molecular Formula C20H26BrN5O2
Exact Mass 447.126988 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID W9Dr9MEnc
Name 1-(3-bromobenzyl)-8-(hexylamino)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H26BrN5O2/c1-4-5-6-7-11-22-19-23-17-16(24(19)2)18(27)26(20(28)25(17)3)13-14-9-8-10-15(21)12-14/h8-10,12H,4-7,11,13H2,1-3H3,(H,22,23)
InChIKey HGVGQUPWSUCYRQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25727
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: D60618; Labnumber: LRP02-0893; SBI_ID: SBI-025731
Temperature 318 °C