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7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[4-(2-hydroxyethyl)-1-piperazinyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

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7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[4-(2-hydroxyethyl)-1-piperazinyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 70ujwxP5P7H
InChI InChI=1S/C22H27N7O3S2/c1-25-18-17(19(31)26(2)22(25)32)29(20(24-18)28-9-7-27(8-10-28)11-13-30)12-14-33-21-23-15-5-3-4-6-16(15)34-21/h3-6,30H,7-14H2,1-2H3
InChIKey YYWCDZCNHHKPFM-UHFFFAOYSA-N
Mol Weight 501.62 g/mol
Molecular Formula C22H27N7O3S2
Exact Mass 501.16168 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 82z1l7fkfNT
Name 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[4-(2-hydroxyethyl)-1-piperazinyl]-1,3-dimethyl-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/C22H27N7O3S2/c1-25-18-17(19(31)26(2)22(25)32)29(20(24-18)28-9-7-27(8-10-28)11-13-30)12-14-33-21-23-15-5-3-4-6-16(15)34-21/h3-6,30H,7-14H2,1-2H3
InChIKey YYWCDZCNHHKPFM-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8939
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: D38826; Labnumber: UZ01F011-2554; SBI_ID: SBI-008942
Temperature 308 °C