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

View entire compound with spectra: 1 NMR

3-methyl-7-pentyl-8-(2-pyrimidinylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID Hsak8Op1RPy
InChI InChI=1S/C15H18N6O2S/c1-3-4-5-9-21-10-11(20(2)14(23)19-12(10)22)18-15(21)24-13-16-7-6-8-17-13/h6-8H,3-5,9H2,1-2H3,(H,19,22,23)
InChIKey MFKJFPPAYPUYDU-UHFFFAOYSA-N
Mol Weight 346.41 g/mol
Molecular Formula C15H18N6O2S
Exact Mass 346.121195 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2g5kffgyuhb
Name 3-methyl-7-pentyl-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/C15H18N6O2S/c1-3-4-5-9-21-10-11(20(2)14(23)19-12(10)22)18-15(21)24-13-16-7-6-8-17-13/h6-8H,3-5,9H2,1-2H3,(H,19,22,23)
InChIKey MFKJFPPAYPUYDU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22039
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: D58189; Labnumber: UZ01F011-4214; SBI_ID: SBI-022043
Temperature 318 °C