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3-methyl-8-(4-methyl-1-piperidinyl)-7-[2-(2-pyrimidinylsulfanyl)ethyl]-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID J9XBgx73Qxv
InChI InChI=1S/C18H23N7O2S/c1-12-4-8-24(9-5-12)17-21-14-13(15(26)22-18(27)23(14)2)25(17)10-11-28-16-19-6-3-7-20-16/h3,6-7,12H,4-5,8-11H2,1-2H3,(H,22,26,27)
InChIKey KPVKNEDVNGVYBV-UHFFFAOYSA-N
Mol Weight 401.49 g/mol
Molecular Formula C18H23N7O2S
Exact Mass 401.163394 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CoWgtnLLWhH
Name 3-methyl-8-(4-methyl-1-piperidinyl)-7-[2-(2-pyrimidinylsulfanyl)ethyl]-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/C18H23N7O2S/c1-12-4-8-24(9-5-12)17-21-14-13(15(26)22-18(27)23(14)2)25(17)10-11-28-16-19-6-3-7-20-16/h3,6-7,12H,4-5,8-11H2,1-2H3,(H,22,26,27)
InChIKey KPVKNEDVNGVYBV-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22016
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: D58159; Labnumber: UZ01F011-4169; SBI_ID: SBI-022020
Temperature 308 °C