Compound Identification
SMILES
COC1=CC=C(C=C1)N1C(=O)NC(=O)C(=CC2=CC(I)=C(OCC3=CC=C(C=C3)C(O)=O)C(I)=C2)C1=O
InChIKey
InChIKey=XPFHYAXMOPABAK-UHFFFAOYSA-N
Formula
C26H18I2N2O7
Mass
724.246
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
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Level 5
Pyrimidones
- Level 6 Barbituric acid derivatives
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Level 5
Pyrimidones
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Pyrimidones
Direct Parent
Barbituric acid derivatives
Alternative Parents
Benzoic acids Methoxyanilines Phenoxy compounds Anisoles Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Iodobenzenes N-acyl ureas Diazinanes Aryl iodides Dicarboximides Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organoiodides Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Barbiturate - Benzoic acid or derivatives - Benzoic acid - Methoxyaniline - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Iodobenzene - N-acyl urea - Ureide - Benzenoid - Aryl iodide - Aryl halide - Monocyclic benzene moiety - 1,3-diazinane - Dicarboximide - Urea - Carbonic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Ether - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organoiodide - Organic oxygen compound - Organohalogen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.
External Descriptors
Not available