Structure Information
Structure

Compound Identification

SMILES

C[C@H]1[C@H](O)C2([C@@H]([C@H]([C@@H]1C1=CC=CC=C1)[N+]([O-])=O)C1=CC=CC=C1)C(=O)N(C)C(=O)N(C)C2=O

InChIKey

InChIKey=WJXWKYWQTDDQEK-CKMGUBGDSA-N

Formula

C24H25N3O6

Mass

451.479

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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 - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Cyclic alcohol - Dicarboximide - C-nitro compound - Carbonic acid derivative - Secondary alcohol - Urea - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Organic oxoazanium - Azacycle - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Carbonyl group - Organic zwitterion - Organooxygen compound - Organic nitrogen 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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