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7-(2-chlorobenzyl)-1,3-dimethyl-8-(1-piperidinylmethyl)-3,7-dihydro-1H-purine-2,6-dione

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7-(2-chlorobenzyl)-1,3-dimethyl-8-(1-piperidinylmethyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 8yjKSmJuvv
InChI InChI=1S/C20H24ClN5O2/c1-23-18-17(19(27)24(2)20(23)28)26(12-14-8-4-5-9-15(14)21)16(22-18)13-25-10-6-3-7-11-25/h4-5,8-9H,3,6-7,10-13H2,1-2H3
InChIKey MTCIOCIZAQWCKT-UHFFFAOYSA-N
Mol Weight 401.9 g/mol
Molecular Formula C20H24ClN5O2
Exact Mass 401.161853 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 72oRqCQgtD3
Name 7-(2-chlorobenzyl)-1,3-dimethyl-8-(1-piperidinylmethyl)-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/C20H24ClN5O2/c1-23-18-17(19(27)24(2)20(23)28)26(12-14-8-4-5-9-15(14)21)16(22-18)13-25-10-6-3-7-11-25/h4-5,8-9H,3,6-7,10-13H2,1-2H3
InChIKey MTCIOCIZAQWCKT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9035
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: D51605; Labnumber: UZ01F011-2517; SBI_ID: SBI-009038
Temperature 318 °C