Structure Information
Structure

Compound Identification

SMILES

CCC1=C(C(N)=NC(N)=N1)C1=CC2=C(OC(C)(C(=O)N2CCCC#N)C2=CC(F)=CC(F)=C2)C=C1

InChIKey

InChIKey=YTQRMQYHTODFGQ-UHFFFAOYSA-N

Formula

C25H24F2N6O2

Mass

478.504

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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

5-phenylpyrimidine - Benzoxazinone - Benzomorpholine - Benzoxazine - Alkyl aryl ether - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Oxazinane - Benzenoid - Imidolactam - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Ether - Oxacycle - Nitrile - Carbonitrile - Organofluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organonitrogen compound - Amine - Organooxygen compound - Organohalogen compound - Primary amine - Organic nitrogen compound - Organic oxygen 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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