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3-methyl-8-(1-piperidinyl)-7-[2-(2-pyrimidinylsulfanyl)ethyl]-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 2UpDMXPMsDs
InChI InChI=1S/C17H21N7O2S/c1-22-13-12(14(25)21-17(22)26)24(10-11-27-15-18-6-5-7-19-15)16(20-13)23-8-3-2-4-9-23/h5-7H,2-4,8-11H2,1H3,(H,21,25,26)
InChIKey QJMQHJSKCVPTCK-UHFFFAOYSA-N
Mol Weight 387.46 g/mol
Molecular Formula C17H21N7O2S
Exact Mass 387.147744 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K2TiSxRRwqH
Name 3-methyl-8-(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/C17H21N7O2S/c1-22-13-12(14(25)21-17(22)26)24(10-11-27-15-18-6-5-7-19-15)16(20-13)23-8-3-2-4-9-23/h5-7H,2-4,8-11H2,1H3,(H,21,25,26)
InChIKey QJMQHJSKCVPTCK-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22012
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: D58155; Labnumber: UZ01F011-4162; SBI_ID: SBI-022016
Temperature 308 °C