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7-allyl-3-methyl-8-(2-pyrimidinylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione

View entire compound with spectra: 1 NMR

7-allyl-3-methyl-8-(2-pyrimidinylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 1RfzNcUKmbA
InChI InChI=1S/C13H12N6O2S/c1-3-7-19-8-9(18(2)12(21)17-10(8)20)16-13(19)22-11-14-5-4-6-15-11/h3-6H,1,7H2,2H3,(H,17,20,21)
InChIKey YLYBEMZGGIMSEH-UHFFFAOYSA-N
Mol Weight 316.34 g/mol
Molecular Formula C13H12N6O2S
Exact Mass 316.074245 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GRcvrWSJsdS
Name 7-allyl-3-methyl-8-(2-pyrimidinylsulfanyl)-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/C13H12N6O2S/c1-3-7-19-8-9(18(2)12(21)17-10(8)20)16-13(19)22-11-14-5-4-6-15-11/h3-6H,1,7H2,2H3,(H,17,20,21)
InChIKey YLYBEMZGGIMSEH-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26828
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: D67357; Labnumber: UZ01F011-4208; SBI_ID: SBI-026832
Temperature 308 °C