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7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[benzyl(methyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 9PhJodwenWY
InChI InChI=1S/C23H22N6O2S2/c1-27(14-15-8-4-3-5-9-15)21-25-19-18(20(30)26-22(31)28(19)2)29(21)12-13-32-23-24-16-10-6-7-11-17(16)33-23/h3-11H,12-14H2,1-2H3,(H,26,30,31)
InChIKey OYTJEKQCWTUXSN-UHFFFAOYSA-N
Mol Weight 478.59 g/mol
Molecular Formula C23H22N6O2S2
Exact Mass 478.124566 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GolF1pebmCa
Name 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[benzyl(methyl)amino]-3-methyl-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/C23H22N6O2S2/c1-27(14-15-8-4-3-5-9-15)21-25-19-18(20(30)26-22(31)28(19)2)29(21)12-13-32-23-24-16-10-6-7-11-17(16)33-23/h3-11H,12-14H2,1-2H3,(H,26,30,31)
InChIKey OYTJEKQCWTUXSN-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22009
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: D58152; Labnumber: UZ01F011-4157; SBI_ID: SBI-022013
Temperature 308 °C