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3-(acetylamino)-5-{[(Z)-(1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoic acid

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3-(acetylamino)-5-{[(Z)-(1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoic acid
SpectraBase Compound ID AC5VvkeWTex
InChI InChI=1S/C22H20N4O6S/c1-3-32-17-6-4-16(5-7-17)26-20(29)18(19(28)25-22(26)33)11-23-14-8-13(21(30)31)9-15(10-14)24-12(2)27/h4-11,23H,3H2,1-2H3,(H,24,27)(H,30,31)(H,25,28,33)/b18-11-
InChIKey SQHRMIDYGVAWQZ-WQRHYEAKSA-N
Mol Weight 468.48 g/mol
Molecular Formula C22H20N4O6S
Exact Mass 468.110356 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GrqReVUjNaq
Name 3-(acetylamino)-5-{[(Z)-(1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}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/C22H20N4O6S/c1-3-32-17-6-4-16(5-7-17)26-20(29)18(19(28)25-22(26)33)11-23-14-8-13(21(30)31)9-15(10-14)24-12(2)27/h4-11,23H,3H2,1-2H3,(H,24,27)(H,30,31)(H,25,28,33)/b18-11-
InChIKey SQHRMIDYGVAWQZ-WQRHYEAKSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_5608
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: D23117; Labnumber: KVEX-30058; SBI_ID: SBI-005610
Synonyms 3-(acetylamino)-5-{[(1-(4-ethoxyphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]amino}benzoic acid
Temperature 318 °C