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7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(4-morpholinyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID AhrTAEX5yWh
InChI InChI=1S/C20H22N6O3S2/c1-23-16-15(17(27)24(2)20(23)28)26(18(22-16)25-7-10-29-11-8-25)9-12-30-19-21-13-5-3-4-6-14(13)31-19/h3-6H,7-12H2,1-2H3
InChIKey LRILJPRYGFUDPV-UHFFFAOYSA-N
Mol Weight 458.56 g/mol
Molecular Formula C20H22N6O3S2
Exact Mass 458.119481 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CXEmfeoiap2
Name 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(4-morpholinyl)-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/C20H22N6O3S2/c1-23-16-15(17(27)24(2)20(23)28)26(18(22-16)25-7-10-29-11-8-25)9-12-30-19-21-13-5-3-4-6-14(13)31-19/h3-6H,7-12H2,1-2H3
InChIKey LRILJPRYGFUDPV-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26819
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: D67347; Labnumber: UZ01F011-4156; SBI_ID: SBI-026823
Temperature 308 °C