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8-bromo-3-methyl-7-{2-[(4-methyl-2-pyrimidinyl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 2Qa0rWScQig
InChI InChI=1S/C13H13BrN6O2S/c1-7-3-4-15-12(16-7)23-6-5-20-8-9(17-11(20)14)19(2)13(22)18-10(8)21/h3-4H,5-6H2,1-2H3,(H,18,21,22)
InChIKey VNBWNUCDUOJCPU-UHFFFAOYSA-N
Mol Weight 397.25 g/mol
Molecular Formula C13H13BrN6O2S
Exact Mass 396.000408 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4rWEXvqlhNn
Name 8-bromo-3-methyl-7-{2-[(4-methyl-2-pyrimidinyl)sulfanyl]ethyl}-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/C13H13BrN6O2S/c1-7-3-4-15-12(16-7)23-6-5-20-8-9(17-11(20)14)19(2)13(22)18-10(8)21/h3-4H,5-6H2,1-2H3,(H,18,21,22)
InChIKey VNBWNUCDUOJCPU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9045
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: D51618; Labnumber: UZ01F011-2540; SBI_ID: SBI-009048
Temperature 318 °C