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(5E)-1-(4-Methylphenyl)-5-[(5-nitro-2-thienyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 1q0ILrhTrAT
InChI InChI=1S/C16H11N3O5S/c1-9-2-4-10(5-3-9)18-15(21)12(14(20)17-16(18)22)8-11-6-7-13(25-11)19(23)24/h2-8H,1H3,(H,17,20,22)/b12-8+
InChIKey KNKZYXQKHRQLIK-XYOKQWHBSA-N
Mol Weight 357.34 g/mol
Molecular Formula C16H11N3O5S
Exact Mass 357.041942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QEfN1sCLcA
Name (5E)-1-(4-Methylphenyl)-5-[(5-nitro-2-thienyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
Alternate Name(s) (5E)-1-(4-methylphenyl)-5-[(5-nitro-2-thiophenyl)methylidene]-1,3-diazinane-2,4,6-trione (5E)-1-(4-methylphenyl)-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-diazinane-2,4,6-trione (5E)-5-[(5-nitro-2-thienyl)methylene]-1-(p-tolyl)barbituric acid (5E)-5-[(5-nitro-2-thienyl)methylene]-1-(p-tolyl)hexahydropyrimidine-2,4,6-trione Pyrimidine-2,4,6(1H,3H,5H)-trione, 1-(4-methylphenyl)-5-(5-nitro-2-thienylmethylene)-
CAS Registry Number 346612-41-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11N3O5S
InChI InChI=1S/C16H11N3O5S/c1-9-2-4-10(5-3-9)18-15(21)12(14(20)17-16(18)22)8-11-6-7-13(25-11)19(23)24/h2-8H,1H3,(H,17,20,22)/b12-8+
InChIKey KNKZYXQKHRQLIK-XYOKQWHBSA-N
Molecular Weight 357.340 g/mol
SMILES N1C(\C(C(N(C1=O)c1ccc(cc1)C)=O)=C\c1sc(N(=O)=O)cc1)=O
SPLASH splash10-01q9-9802000000-290d88580b7781dc821f
Source of Spectrum AD-0-2532-0
Wiley ID 1429692