Structure Information
Structure

Compound Identification

SMILES

CCOC1=C(C=C(C=C2C(=O)NC(=O)N(C2=O)C2=CC=CC=C2Cl)C=C1)C(O)=O

InChIKey

InChIKey=NMDGZDKBQCFBGX-UHFFFAOYSA-N

Formula

C20H15ClN2O6

Mass

414.8

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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

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