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3-{3-[(E)-(1-allyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid

Compound with spectra: 1 NMR

3-{3-[(E)-(1-allyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
SpectraBase Compound ID 6ngRld4emx6
InChI InChI=1S/C21H19N3O4S/c1-4-8-23-19(26)17(18(25)22-21(23)29)11-15-9-12(2)24(13(15)3)16-7-5-6-14(10-16)20(27)28/h4-7,9-11H,1,8H2,2-3H3,(H,27,28)(H,22,25,29)/b17-11+
InChIKey KWADRMZBJJCAIR-GZTJUZNOSA-N
Mol Weight 409.46 g/mol
Molecular Formula C21H19N3O4S
Exact Mass 409.109627 g/mol

View Spectrum of 3-{3-[(E)-(1-allyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid

1H NMR Spectrum
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Solvent DMSO-d6
  • 3-{3-[(1-allyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
methyl 3-{3-[(E)-(1-allyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
(5E)-1-allyl-5-{[1-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
(5E)-1-allyl-5-{[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
(5Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
(5Z)-5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]-1-(2-furylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
(5E)-1-(3,5-dimethylphenyl)-5-{[2,5-dimethyl-1-(4-pyridinyl)-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
(5E)-5-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]-1-(4-fluorophenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
(5Z)-5-{[1-(4-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-1-phenyl-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
(5E)-5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylene}-1-(4-methylphenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
(5Z)-1-(4-chlorophenyl)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
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