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7-allyl-3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 8fM28zqnYNG
InChI InChI=1S/C12H12N6O2S2/c1-4-5-18-7-8(17(3)10(20)14-9(7)19)13-11(18)22-12-16-15-6(2)21-12/h4H,1,5H2,2-3H3,(H,14,19,20)
InChIKey ZNAYTNYSRKSYMF-UHFFFAOYSA-N
Mol Weight 336.39 g/mol
Molecular Formula C12H12N6O2S2
Exact Mass 336.046316 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D87Q8CBA0HW
Name 7-allyl-3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-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/C12H12N6O2S2/c1-4-5-18-7-8(17(3)10(20)14-9(7)19)13-11(18)22-12-16-15-6(2)21-12/h4H,1,5H2,2-3H3,(H,14,19,20)
InChIKey ZNAYTNYSRKSYMF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22038
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: D58188; Labnumber: UZ01F011-4207; SBI_ID: SBI-022042
Temperature 318 °C