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8-[benzyl(methyl)amino]-3-methyl-7-[2-(2-pyrimidinylsulfanyl)ethyl]-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 9IXygrjuqXv
InChI InChI=1S/C20H21N7O2S/c1-25(13-14-7-4-3-5-8-14)19-23-16-15(17(28)24-20(29)26(16)2)27(19)11-12-30-18-21-9-6-10-22-18/h3-10H,11-13H2,1-2H3,(H,24,28,29)
InChIKey IWUKOWYABDLVAK-UHFFFAOYSA-N
Mol Weight 423.5 g/mol
Molecular Formula C20H21N7O2S
Exact Mass 423.147744 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1w66EytBscZ
Name 8-[benzyl(methyl)amino]-3-methyl-7-[2-(2-pyrimidinylsulfanyl)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/C20H21N7O2S/c1-25(13-14-7-4-3-5-8-14)19-23-16-15(17(28)24-20(29)26(16)2)27(19)11-12-30-18-21-9-6-10-22-18/h3-10H,11-13H2,1-2H3,(H,24,28,29)
InChIKey IWUKOWYABDLVAK-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22020
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: D58163; Labnumber: UZ01F011-4174; SBI_ID: SBI-022024
Temperature 308 °C