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(5E)-1-(2,5-dimethoxyphenyl)-5-[(5-nitro-2-thienyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID H6PoOQVmuqf
InChI InChI=1S/C17H13N3O7S/c1-26-9-3-5-13(27-2)12(7-9)19-16(22)11(15(21)18-17(19)23)8-10-4-6-14(28-10)20(24)25/h3-8H,1-2H3,(H,18,21,23)/b11-8+
InChIKey XYHFPHPBHDRPSH-DHZHZOJOSA-N
Mol Weight 403.37 g/mol
Molecular Formula C17H13N3O7S
Exact Mass 403.047421 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBlL7k3Kq0n
Name (5E)-1-(2,5-dimethoxyphenyl)-5-[(5-nitro-2-thienyl)methylene]barbituric acid
Alternate Name(s) (5E)-1-(2,5-dimethoxyphenyl)-5-[(5-nitro-2-thienyl)methylene]hexahydropyrimidine-2,4,6-trione (5E)-1-(2,5-dimethoxyphenyl)-5-[(5-nitro-2-thiophenyl)methylidene]-1,3-diazinane-2,4,6-trione (5E)-1-(2,5-dimethoxyphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione 1-(2,5-Dimethoxyphenyl)-5-[(5-nitro-2-thienyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
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Formula C17H13N3O7S
InChI InChI=1S/C17H13N3O7S/c1-26-9-3-5-13(27-2)12(7-9)19-16(22)11(15(21)18-17(19)23)8-10-4-6-14(28-10)20(24)25/h3-8H,1-2H3,(H,18,21,23)/b11-8+
InChIKey XYHFPHPBHDRPSH-DHZHZOJOSA-N
Molecular Weight 403.365 g/mol
SMILES N1C(\C(C(N(C1=O)c1cc(OC)ccc1OC)=O)=C\c1sc(N(=O)=O)cc1)=O
SPLASH splash10-0ik9-1910200000-ad06a8a379479692d500
Wiley ID 1442918