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7-benzyl-1,3-dimethyl-8-{[2-(1-piperidinyl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID BC78LQZPGa8
InChI InChI=1S/C21H27N5O2S/c1-23-18-17(19(27)24(2)21(23)28)26(15-16-9-5-3-6-10-16)20(22-18)29-14-13-25-11-7-4-8-12-25/h3,5-6,9-10H,4,7-8,11-15H2,1-2H3
InChIKey BDPSOPZZXIOVGF-UHFFFAOYSA-N
Mol Weight 413.54 g/mol
Molecular Formula C21H27N5O2S
Exact Mass 413.188546 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4NvQWPBkUIL
Name 7-benzyl-1,3-dimethyl-8-{[2-(1-piperidinyl)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/C21H27N5O2S/c1-23-18-17(19(27)24(2)21(23)28)26(15-16-9-5-3-6-10-16)20(22-18)29-14-13-25-11-7-4-8-12-25/h3,5-6,9-10H,4,7-8,11-15H2,1-2H3
InChIKey BDPSOPZZXIOVGF-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8891
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: D38767; Labnumber: UZ01F011-2418; SBI_ID: SBI-008894
Temperature 308 °C