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Structure Information
Structure

Compound Identification

SMILES

CC(NC1=NC=NC(N)=C1C#N)C1=C(C2=CC(F)=CC(F)=C2)C(=O)N2C=CC=CC2=N1

InChIKey

InChIKey=CTXJXPBAERGWBK-UHFFFAOYSA-N

Formula

C21H15F2N7O

Mass

419.396

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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 - Pyridopyrimidine - Aminopyrimidine - Fluorobenzene - Halobenzene - Pyrimidone - Secondary aliphatic/aromatic amine - Imidolactam - Benzenoid - Aryl halide - Aryl fluoride - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Lactam - Secondary amine - Azacycle - Carbonitrile - Nitrile - Cyanide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Primary amine - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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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