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7-{2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]ethyl}-8-(4-ethyl-1-piperazinyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 5bQ2EEET0v
InChI InChI=1S/C21H30N8O2S/c1-6-27-7-9-28(10-8-27)20-24-17-16(18(30)26(5)21(31)25(17)4)29(20)11-12-32-19-22-14(2)13-15(3)23-19/h13H,6-12H2,1-5H3
InChIKey QOBJWFDNRCPEKR-UHFFFAOYSA-N
Mol Weight 458.59 g/mol
Molecular Formula C21H30N8O2S
Exact Mass 458.221243 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1dNzzKTFClf
Name 7-{2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]ethyl}-8-(4-ethyl-1-piperazinyl)-1,3-dimethyl-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/C21H30N8O2S/c1-6-27-7-9-28(10-8-27)20-24-17-16(18(30)26(5)21(31)25(17)4)29(20)11-12-32-19-22-14(2)13-15(3)23-19/h13H,6-12H2,1-5H3
InChIKey QOBJWFDNRCPEKR-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22003
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: D58146; Labnumber: UZ01F011-4149; SBI_ID: SBI-022007
Temperature 308 °C