Structure Information
Structure

Compound Identification

SMILES

COC1=C(OCC2=CC=C(Cl)C=C2)C(I)=CC(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)=C1

InChIKey

InChIKey=JQRYRLHBHDOQGJ-UHFFFAOYSA-N

Formula

C25H24ClIN2O5

Mass

594.83

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Pyrimidones

Direct Parent

Barbituric acid derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Barbiturate - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - N-acyl urea - Iodobenzene - Halobenzene - Chlorobenzene - Ureide - Aryl chloride - Monocyclic benzene moiety - Benzenoid - 1,3-diazinane - Aryl iodide - Aryl halide - Dicarboximide - Urea - Carbonic acid derivative - Ether - Carboxylic acid derivative - Azacycle - Organochloride - Organoiodide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organic oxygen 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

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