Structure Information
Structure

Compound Identification

SMILES

OCC(CO)(CO)N\C=C1\C(=O)NC(=O)N(C1=O)C1=CC=C(Br)C=C1

InChIKey

InChIKey=XRLFJIBCUYSQAD-WZUFQYTHSA-N

Formula

C15H16BrN3O6

Mass

414.212

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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 - Bromobenzene - Halobenzene - N-acyl urea - Ureide - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Vinylogous amide - Dicarboximide - Urea - 1,2-aminoalcohol - Carbonic acid derivative - Amino acid or derivatives - Secondary amine - Azacycle - Allylamine - Carboxylic acid derivative - Secondary aliphatic amine - Enamine - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Organohalogen compound - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Alcohol - Organobromide - Organonitrogen compound - Organooxygen compound - Primary alcohol - 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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