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1-(4-chlorobenzyl)-3,7-dimethyl-8-{[3-(4-morpholinyl)propyl]amino}-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 9vOguPG0QoP
InChI InChI=1S/C21H27ClN6O3/c1-25-17-18(24-20(25)23-8-3-9-27-10-12-31-13-11-27)26(2)21(30)28(19(17)29)14-15-4-6-16(22)7-5-15/h4-7H,3,8-14H2,1-2H3,(H,23,24)
InChIKey QYMSWYNUIKWNSX-UHFFFAOYSA-N
Mol Weight 446.94 g/mol
Molecular Formula C21H27ClN6O3
Exact Mass 446.183316 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AHhIcubXg4Y
Name 1-(4-chlorobenzyl)-3,7-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/C21H27ClN6O3/c1-25-17-18(24-20(25)23-8-3-9-27-10-12-31-13-11-27)26(2)21(30)28(19(17)29)14-15-4-6-16(22)7-5-15/h4-7H,3,8-14H2,1-2H3,(H,23,24)
InChIKey QYMSWYNUIKWNSX-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22570
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: D59992; Labnumber: LRP02-1011; SBI_ID: SBI-022574
Temperature 308 °C