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3-methyl-8-(4-morpholinyl)-7-[3-(2-pyrimidinylsulfanyl)propyl]-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID AKz6qRoPBJq
InChI InChI=1S/C17H21N7O3S/c1-22-13-12(14(25)21-17(22)26)24(16(20-13)23-7-9-27-10-8-23)6-3-11-28-15-18-4-2-5-19-15/h2,4-5H,3,6-11H2,1H3,(H,21,25,26)
InChIKey BZBFNWYUAWUMEF-UHFFFAOYSA-N
Mol Weight 403.46 g/mol
Molecular Formula C17H21N7O3S
Exact Mass 403.142659 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 77wGYXoqEjj
Name 3-methyl-8-(4-morpholinyl)-7-[3-(2-pyrimidinylsulfanyl)propyl]-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/C17H21N7O3S/c1-22-13-12(14(25)21-17(22)26)24(16(20-13)23-7-9-27-10-8-23)6-3-11-28-15-18-4-2-5-19-15/h2,4-5H,3,6-11H2,1H3,(H,21,25,26)
InChIKey BZBFNWYUAWUMEF-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21977
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: D58118; Labnumber: UZ01F011-4116; SBI_ID: SBI-021981
Temperature 308 °C