Structure Information
Structure

Compound Identification

SMILES

CC1=C(Cl)C=CC(OCCN2C=CC=C2C=C2C(=O)NC(=O)N(CC3=CC=CO3)C2=O)=C1

InChIKey

InChIKey=OASJTEHBCRGNHB-UHFFFAOYSA-N

Formula

C23H20ClN3O5

Mass

453.88

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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 - Phenol ether - Phenoxy compound - N-acyl urea - Halobenzene - Alkyl aryl ether - Toluene - Ureide - Chlorobenzene - Benzenoid - Substituted pyrrole - 1,3-diazinane - Monocyclic benzene moiety - Aryl chloride - Aryl halide - Dicarboximide - Furan - Pyrrole - Heteroaromatic compound - Urea - Carbonic acid derivative - Carboxylic acid derivative - Oxacycle - Azacycle - Ether - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organochloride - Organohalogen 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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