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7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-8-{[3-(4-morpholinyl)propyl]amino}-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 4IfCnJt2GgY
InChI InChI=1S/C21H26ClFN6O3/c1-26-18-17(19(30)27(2)21(26)31)29(13-14-15(22)5-3-6-16(14)23)20(25-18)24-7-4-8-28-9-11-32-12-10-28/h3,5-6H,4,7-13H2,1-2H3,(H,24,25)
InChIKey DUZJLQJERQBRQS-UHFFFAOYSA-N
Mol Weight 464.93 g/mol
Molecular Formula C21H26ClFN6O3
Exact Mass 464.173895 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9zqHHPaZq5Z
Name 7-(2-chloro-6-fluorobenzyl)-1,3-dimethyl-8-{[3-(4-morpholinyl)propyl]amino}-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/C21H26ClFN6O3/c1-26-18-17(19(30)27(2)21(26)31)29(13-14-15(22)5-3-6-16(14)23)20(25-18)24-7-4-8-28-9-11-32-12-10-28/h3,5-6H,4,7-13H2,1-2H3,(H,24,25)
InChIKey DUZJLQJERQBRQS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9627
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: D55561; Labnumber: LRP02-1003; SBI_ID: SBI-009630
Temperature 318 °C