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3-methyl-8-(4-methyl-1-piperidinyl)-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione

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3-methyl-8-(4-methyl-1-piperidinyl)-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID IqUGJk0jW43
InChI InChI=1S/C21H27N5O2/c1-15-10-13-25(14-11-15)20-22-18-17(19(27)23-21(28)24(18)2)26(20)12-6-9-16-7-4-3-5-8-16/h3-5,7-8,15H,6,9-14H2,1-2H3,(H,23,27,28)
InChIKey ZKAGAMSWOMCGOW-UHFFFAOYSA-N
Mol Weight 381.48 g/mol
Molecular Formula C21H27N5O2
Exact Mass 381.216475 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KeiR7FJMn6j
Name 3-methyl-8-(4-methyl-1-piperidinyl)-7-(3-phenylpropyl)-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/C21H27N5O2/c1-15-10-13-25(14-11-15)20-22-18-17(19(27)23-21(28)24(18)2)26(20)12-6-9-16-7-4-3-5-8-16/h3-5,7-8,15H,6,9-14H2,1-2H3,(H,23,27,28)
InChIKey ZKAGAMSWOMCGOW-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8920
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: D38806; Labnumber: UZ01F011-2494; SBI_ID: SBI-008923
Temperature 308 °C