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(5Z)-5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-cyclopropyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

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(5Z)-5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-cyclopropyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID DEP6sZqguRo
InChI InChI=1S/C20H18ClN3O2S/c1-11-9-13(12(2)23(11)15-5-3-14(21)4-6-15)10-17-18(25)22-20(27)24(19(17)26)16-7-8-16/h3-6,9-10,16H,7-8H2,1-2H3,(H,22,25,27)/b17-10-
InChIKey NRXGZNZGEMVFAZ-YVLHZVERSA-N
Mol Weight 399.9 g/mol
Molecular Formula C20H18ClN3O2S
Exact Mass 399.080826 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3tMnDXUgw9q
Name (5Z)-5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-cyclopropyl-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/C20H18ClN3O2S/c1-11-9-13(12(2)23(11)15-5-3-14(21)4-6-15)10-17-18(25)22-20(27)24(19(17)26)16-7-8-16/h3-6,9-10,16H,7-8H2,1-2H3,(H,22,25,27)/b17-10-
InChIKey NRXGZNZGEMVFAZ-YVLHZVERSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27565
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: D77163; Labnumber: KKA-0212B-0677; SBI_ID: SBI-027569
Synonyms 5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-cyclopropyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 315 °C