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4-((2E)-2-{2-[3-methyl-2,6-dioxo-8-(1-piperidinyl)-1,2,3,6-tetrahydro-7H-purin-7-yl]ethylidene}hydrazino)benzoic acid
SpectraBase Compound ID Le73kqsDXS8
InChI InChI=1S/C20H23N7O4/c1-25-16-15(17(28)23-20(25)31)27(19(22-16)26-10-3-2-4-11-26)12-9-21-24-14-7-5-13(6-8-14)18(29)30/h5-9,24H,2-4,10-12H2,1H3,(H,29,30)(H,23,28,31)/b21-9+
InChIKey LUUFZAGRLVKNHC-ZVBGSRNCSA-N
Mol Weight 425.45 g/mol
Molecular Formula C20H23N7O4
Exact Mass 425.181152 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8JLfhiTM3m8
Name 4-((2E)-2-{2-[3-methyl-2,6-dioxo-8-(1-piperidinyl)-1,2,3,6-tetrahydro-7H-purin-7-yl]ethylidene}hydrazino)benzoic acid
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/C20H23N7O4/c1-25-16-15(17(28)23-20(25)31)27(19(22-16)26-10-3-2-4-11-26)12-9-21-24-14-7-5-13(6-8-14)18(29)30/h5-9,24H,2-4,10-12H2,1H3,(H,29,30)(H,23,28,31)/b21-9+
InChIKey LUUFZAGRLVKNHC-ZVBGSRNCSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_7135
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: N24306; Labnumber: UZ01R011-326; VK_ID: VK-007139
Synonyms 4-(2-{2-[3-methyl-2,6-dioxo-8-(1-piperidinyl)-1,2,3,6-tetrahydro-7H-purin-7-yl]ethylidene}hydrazino)benzoic acid
Temperature 318 °C