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1,3-dimethyl-7-{2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]ethyl}-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID CnhZnZIC1Ji
InChI InChI=1S/C21H25N9O2S/c1-26-17-16(18(31)27(2)21(26)32)29(19(22-17)28-11-7-4-8-12-28)13-14-33-20-23-24-25-30(20)15-9-5-3-6-10-15/h3,5-6,9-10H,4,7-8,11-14H2,1-2H3
InChIKey NILSXGXSQPWMHQ-UHFFFAOYSA-N
Mol Weight 467.55 g/mol
Molecular Formula C21H25N9O2S
Exact Mass 467.185192 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7dzqIYiD71R
Name 1,3-dimethyl-7-{2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]ethyl}-8-(1-piperidinyl)-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/C21H25N9O2S/c1-26-17-16(18(31)27(2)21(26)32)29(19(22-17)28-11-7-4-8-12-28)13-14-33-20-23-24-25-30(20)15-9-5-3-6-10-15/h3,5-6,9-10H,4,7-8,11-14H2,1-2H3
InChIKey NILSXGXSQPWMHQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22059
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: D58210; Labnumber: UZ01F011-4255; SBI_ID: SBI-022063
Temperature 318 °C