Structure Information
Structure

Compound Identification

SMILES

Cl.CCC1(C(=O)NC(=O)N(CC(=O)CCN2CCCCC2)C1=O)C1=CC=CC=C1

InChIKey

InChIKey=GWLZXHMUQLVFHI-UHFFFAOYSA-N

Formula

C21H28ClN3O4

Mass

421.92

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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 - N-acyl urea - Ureide - Piperidine - Monocyclic benzene moiety - Benzenoid - 1,3-diazinane - Beta-aminoketone - Dicarboximide - Carbonic acid derivative - Urea - Tertiary aliphatic amine - Tertiary amine - Ketone - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Amine - Organonitrogen compound - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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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