Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)N1C(=O)NC(=O)\C(=C/N)C1=O

InChIKey

InChIKey=BKZPRZBTKGGOSP-RMKNXTFCSA-N

Formula

C12H11N3O3

Mass

245.238

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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 - Toluene - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Dicarboximide - Vinylogous amide - Amino acid or derivatives - Carbonic acid derivative - Urea - Carboxylic acid derivative - Allylamine - Enamine - Azacycle - Hydrocarbon derivative - Primary aliphatic amine - Organic nitrogen compound - Organic oxide - Amine - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary amine - 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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