Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=ZQMVOLSCGOSVHS-UHFFFAOYSA-N

Formula

C26H24ClN3O5

Mass

493.94

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