Structure Information
Structure

Compound Identification

SMILES

OC(=O)CCC(=O)C1=CN(C2=C1C=CC(F)=C2)C1=NC2=C(C=C(Cl)C=C2)C(=N1)C1=CC=CC=C1

InChIKey

InChIKey=IXIRNSYIJPNCQM-UHFFFAOYSA-N

Formula

C26H17ClFN3O3

Mass

473.89

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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 - Quinazolinamine - Quinazoline - Indole - Indole or derivatives - Gamma-keto acid - Aryl ketone - Aryl alkyl ketone - Aryl chloride - Benzenoid - Substituted pyrrole - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Keto acid - Heteroaromatic compound - Vinylogous amide - Pyrrole - Ketone - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organofluoride - Organochloride - Organooxygen compound - Organohalogen 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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