Structure Information
Structure

Compound Identification

SMILES

CCCCC1=C(C(=O)N(CC2=C(C=CO2)C(O)=O)C(C)=N1)C1=CC=C(C=C1)C1=CC=CC=C1C(O)=O

InChIKey

InChIKey=VJUSFMHDHAKBRJ-UHFFFAOYSA-N

Formula

C28H26N2O6

Mass

486.524

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrimidines

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Biphenyl - 5-phenylpyrimidine - Benzoic acid or derivatives - Benzoic acid - Furoic acid or derivatives - Furan-3-carboxylic acid - Furan-3-carboxylic acid or derivatives - Benzoyl - Furoic acid - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Hydropyrimidine - Heteroaromatic compound - Furan - Lactam - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.

External Descriptors

Not available

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