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7-(4-chlorobenzyl)-8-[(3-isopropoxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID CwZL7XJZ2hR
InChI InChI=1S/C20H26ClN5O3/c1-13(2)29-11-5-10-22-19-23-17-16(18(27)25(4)20(28)24(17)3)26(19)12-14-6-8-15(21)9-7-14/h6-9,13H,5,10-12H2,1-4H3,(H,22,23)
InChIKey DALRQSFTQFHQPA-UHFFFAOYSA-N
Mol Weight 419.91 g/mol
Molecular Formula C20H26ClN5O3
Exact Mass 419.172417 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BgPX2vsUumu
Name 7-(4-chlorobenzyl)-8-[(3-isopropoxypropyl)amino]-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/C20H26ClN5O3/c1-13(2)29-11-5-10-22-19-23-17-16(18(27)25(4)20(28)24(17)3)26(19)12-14-6-8-15(21)9-7-14/h6-9,13H,5,10-12H2,1-4H3,(H,22,23)
InChIKey DALRQSFTQFHQPA-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25735
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: D60627; Labnumber: LRP02-0977; SBI_ID: SBI-025739
Temperature 318 °C