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3-methyl-7-{2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]ethyl}-8-(1-piperidinyl)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID J7VZmJFZJfh
InChI InChI=1S/C20H23N9O2S/c1-26-16-15(17(30)22-19(26)31)28(18(21-16)27-10-6-3-7-11-27)12-13-32-20-23-24-25-29(20)14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3,(H,22,30,31)
InChIKey LGVVFTQTDJGXGV-UHFFFAOYSA-N
Mol Weight 453.53 g/mol
Molecular Formula C20H23N9O2S
Exact Mass 453.169542 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HPPeOAuLEth
Name 3-methyl-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/C20H23N9O2S/c1-26-16-15(17(30)22-19(26)31)28(18(21-16)27-10-6-3-7-11-27)12-13-32-20-23-24-25-29(20)14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3,(H,22,30,31)
InChIKey LGVVFTQTDJGXGV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7617
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: D31311; Labnumber: UZ01F011-2560; SBI_ID: SBI-007620
Temperature 318 °C