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7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-[4-(4-methoxyphenyl)-1-piperazinyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione

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7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-[4-(4-methoxyphenyl)-1-piperazinyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID IWBiVxkh5to
InChI InChI=1S/C27H29N7O3S2/c1-31-23-22(24(35)30-26(31)36)34(12-5-17-38-27-28-20-6-3-4-7-21(20)39-27)25(29-23)33-15-13-32(14-16-33)18-8-10-19(37-2)11-9-18/h3-4,6-11H,5,12-17H2,1-2H3,(H,30,35,36)
InChIKey CYBQIBFUHRPUFT-UHFFFAOYSA-N
Mol Weight 563.7 g/mol
Molecular Formula C27H29N7O3S2
Exact Mass 563.17733 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CVf1RdtpNM7
Name 7-[3-(1,3-benzothiazol-2-ylsulfanyl)propyl]-8-[4-(4-methoxyphenyl)-1-piperazinyl]-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/C27H29N7O3S2/c1-31-23-22(24(35)30-26(31)36)34(12-5-17-38-27-28-20-6-3-4-7-21(20)39-27)25(29-23)33-15-13-32(14-16-33)18-8-10-19(37-2)11-9-18/h3-4,6-11H,5,12-17H2,1-2H3,(H,30,35,36)
InChIKey CYBQIBFUHRPUFT-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22001
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: D58144; Labnumber: UZ01F011-4147; SBI_ID: SBI-022005
Temperature 308 °C