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8-(4-ethyl-1-piperazinyl)-1,3-dimethyl-7-{2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 8BOnEUgnN7N
InChI InChI=1S/C22H28N10O2S/c1-4-29-10-12-30(13-11-29)20-23-18-17(19(33)28(3)22(34)27(18)2)31(20)14-15-35-21-24-25-26-32(21)16-8-6-5-7-9-16/h5-9H,4,10-15H2,1-3H3
InChIKey HZJROAKXRAQFLM-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 ACLl6Ky04zF
Name 8-(4-ethyl-1-piperazinyl)-1,3-dimethyl-7-{2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]ethyl}-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/c1-4-29-10-12-30(13-11-29)20-23-18-17(19(33)28(3)22(34)27(18)2)31(20)14-15-35-21-24-25-26-32(21)16-8-6-5-7-9-16/h5-9H,4,10-15H2,1-3H3
InChIKey HZJROAKXRAQFLM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22065
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: D58217; Labnumber: UZ01F011-4262; SBI_ID: SBI-022069
Temperature 318 °C