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(5E)-1-(4-bromophenyl)-5-({1-[4-(dimethylamino)phenyl]-1H-pyrrol-2-yl}methylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

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(5E)-1-(4-bromophenyl)-5-({1-[4-(dimethylamino)phenyl]-1H-pyrrol-2-yl}methylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 3Xbq68alkeD
InChI InChI=1S/C23H19BrN4O2S/c1-26(2)16-9-11-17(12-10-16)27-13-3-4-19(27)14-20-21(29)25-23(31)28(22(20)30)18-7-5-15(24)6-8-18/h3-14H,1-2H3,(H,25,29,31)/b20-14+
InChIKey WMMSFWJVKVXICM-XSFVSMFZSA-N
Mol Weight 495.4 g/mol
Molecular Formula C23H19BrN4O2S
Exact Mass 494.04121 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7FBEuXGrCWE
Name (5E)-1-(4-bromophenyl)-5-({1-[4-(dimethylamino)phenyl]-1H-pyrrol-2-yl}methylene)-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/C23H19BrN4O2S/c1-26(2)16-9-11-17(12-10-16)27-13-3-4-19(27)14-20-21(29)25-23(31)28(22(20)30)18-7-5-15(24)6-8-18/h3-14H,1-2H3,(H,25,29,31)/b20-14+
InChIKey WMMSFWJVKVXICM-XSFVSMFZSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_10134
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: 1002618; UBI_ID: UBI-010137
Synonyms 1-(4-bromophenyl)-5-({1-[4-(dimethylamino)phenyl]-1H-pyrrol-2-yl}methylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 315 °C