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8-(4-ethyl-1-piperazinyl)-3-methyl-7-{3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]propyl}-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 8CDZaOYHjtM
InChI InChI=1S/C22H28N10O2S/c1-3-29-11-13-30(14-12-29)20-23-18-17(19(33)24-21(34)28(18)2)31(20)10-7-15-35-22-25-26-27-32(22)16-8-5-4-6-9-16/h4-6,8-9H,3,7,10-15H2,1-2H3,(H,24,33,34)
InChIKey JCFTXAPZPMOPSV-UHFFFAOYSA-N
Mol Weight 496.59 g/mol
Molecular Formula C22H28N10O2S
Exact Mass 496.211741 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 64MbY5CCSo2
Name 8-(4-ethyl-1-piperazinyl)-3-methyl-7-{3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]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/C22H28N10O2S/c1-3-29-11-13-30(14-12-29)20-23-18-17(19(33)24-21(34)28(18)2)31(20)10-7-15-35-22-25-26-27-32(22)16-8-5-4-6-9-16/h4-6,8-9H,3,7,10-15H2,1-2H3,(H,24,33,34)
InChIKey JCFTXAPZPMOPSV-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21999
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: D58142; Labnumber: UZ01F011-4145; SBI_ID: SBI-022003
Temperature 308 °C