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7-{2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]ethyl}-1,3-dimethyl-8-(4-methyl-1-piperazinyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID Gdv4ru1qrrf
InChI InChI=1S/C20H28N8O2S/c1-13-12-14(2)22-18(21-13)31-11-10-28-15-16(25(4)20(30)26(5)17(15)29)23-19(28)27-8-6-24(3)7-9-27/h12H,6-11H2,1-5H3
InChIKey ZLOAWMVCXZBIPZ-UHFFFAOYSA-N
Mol Weight 444.56 g/mol
Molecular Formula C20H28N8O2S
Exact Mass 444.205593 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ICxiidHgatE
Name 7-{2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]ethyl}-1,3-dimethyl-8-(4-methyl-1-piperazinyl)-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/C20H28N8O2S/c1-13-12-14(2)22-18(21-13)31-11-10-28-15-16(25(4)20(30)26(5)17(15)29)23-19(28)27-8-6-24(3)7-9-27/h12H,6-11H2,1-5H3
InChIKey ZLOAWMVCXZBIPZ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26817
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: D67344; Labnumber: UZ01F011-4123; SBI_ID: SBI-026821
Temperature 308 °C