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7-(4-chlorobenzyl)-1,3-dimethyl-8-{[2-(4-morpholinyl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 1NLT3kVzft1
InChI InChI=1S/C20H24ClN5O3S/c1-23-17-16(18(27)24(2)20(23)28)26(13-14-3-5-15(21)6-4-14)19(22-17)30-12-9-25-7-10-29-11-8-25/h3-6H,7-13H2,1-2H3
InChIKey BQGWVMMZTUJBEH-UHFFFAOYSA-N
Mol Weight 449.96 g/mol
Molecular Formula C20H24ClN5O3S
Exact Mass 449.128839 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FKUtKV8kcrD
Name 7-(4-chlorobenzyl)-1,3-dimethyl-8-{[2-(4-morpholinyl)ethyl]sulfanyl}-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/C20H24ClN5O3S/c1-23-17-16(18(27)24(2)20(23)28)26(13-14-3-5-15(21)6-4-14)19(22-17)30-12-9-25-7-10-29-11-8-25/h3-6H,7-13H2,1-2H3
InChIKey BQGWVMMZTUJBEH-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20215
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: D16400; Labnumber: UZROM-3524; SBI_ID: SBI-020219
Temperature 315 °C