Structure Information
Structure

Compound Identification

SMILES

O=C1N(C(=O)C2=C1C=CC(=C2)C1=NC2=CC=CC=C2C(=O)O1)C1=CC=C(C=C1)C1=CC(=NC(=N1)C1=CC=CC=C1)C1=CC=C(C=C1)N1C(=O)C2=C(C=C(C=C2)C2=NC3=CC=CC=C3C(=O)O2)C1=O

InChIKey

InChIKey=RRBRRXAAYPTPTF-UHFFFAOYSA-N

Formula

C54H28N6O8

Mass

888.852

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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 heteropolycyclic compounds

Substituents

4-phenylpyrimidine - Phthalimide - Benzoxazine - Isoindolone - Isoindoline - Isoindole - Isoindole or derivatives - Monocyclic benzene moiety - Benzenoid - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Heteroaromatic compound - Lactone - Carboxylic acid derivative - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic 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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