Structure Information
Structure

Compound Identification

SMILES

O=C1NC(=O)N2CCCOC2C1C1=CC=CC=C1

InChIKey

InChIKey=ISKGXVOKNUUFDE-UHFFFAOYSA-N

Formula

C13H14N2O3

Mass

246.266

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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 heteropolycyclic compounds

Substituents

Barbiturate - N-acyl urea - Ureide - 1,3-oxazinane - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Oxazinane - Dicarboximide - Carbonic acid derivative - Urea - Carboxylic acid derivative - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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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