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3-methyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-8-(4-phenyl-1-piperazinyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 5HZexvpBFXO
InChI InChI=1S/C21H24N8O2S2/c1-14-24-25-21(33-14)32-13-12-29-16-17(26(2)20(31)23-18(16)30)22-19(29)28-10-8-27(9-11-28)15-6-4-3-5-7-15/h3-7H,8-13H2,1-2H3,(H,23,30,31)
InChIKey ZVKVHCIQUFYYAJ-UHFFFAOYSA-N
Mol Weight 484.6 g/mol
Molecular Formula C21H24N8O2S2
Exact Mass 484.146364 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JP7dT0Pe5y5
Name 3-methyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-8-(4-phenyl-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/C21H24N8O2S2/c1-14-24-25-21(33-14)32-13-12-29-16-17(26(2)20(31)23-18(16)30)22-19(29)28-10-8-27(9-11-28)15-6-4-3-5-7-15/h3-7H,8-13H2,1-2H3,(H,23,30,31)
InChIKey ZVKVHCIQUFYYAJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22056
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: D58207; Labnumber: UZ01F011-4252; SBI_ID: SBI-022060
Temperature 318 °C