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(5Z)-5-({[2-(1H-indol-3-yl)ethyl]amino}methylene)-1-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 5VIHgc1jWMh
InChI InChI=1S/C22H20N4O2S/c1-14-6-8-16(9-7-14)26-21(28)18(20(27)25-22(26)29)13-23-11-10-15-12-24-19-5-3-2-4-17(15)19/h2-9,12-13,23-24H,10-11H2,1H3,(H,25,27,29)/b18-13-
InChIKey COTCBSDVDYMGMY-AQTBWJFISA-N
Mol Weight 404.49 g/mol
Molecular Formula C22H20N4O2S
Exact Mass 404.130697 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4vmDAC2c1yv
Name (5Z)-5-({[2-(1H-indol-3-yl)ethyl]amino}methylene)-1-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
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/C22H20N4O2S/c1-14-6-8-16(9-7-14)26-21(28)18(20(27)25-22(26)29)13-23-11-10-15-12-24-19-5-3-2-4-17(15)19/h2-9,12-13,23-24H,10-11H2,1H3,(H,25,27,29)/b18-13-
InChIKey COTCBSDVDYMGMY-AQTBWJFISA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22816
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: D35845; Labnumber: SPDEM4-15454; SBI_ID: SBI-022820
Synonyms 5-({[2-(1H-indol-3-yl)ethyl]amino}methylene)-1-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 308 °C