Structure Information
Structure

Compound Identification

SMILES

FC(F)(F)C1=CC(=NC2=NC(=NN12)C(=O)N1CCOCC1)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=PZJJXAWMWWLXRN-UHFFFAOYSA-N

Formula

C17H13ClF3N5O2

Mass

411.77

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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 - 5-phenylpyrimidine - Morpholine-4-carboxylic acid or derivatives - Triazolopyrimidine - 2-heteroaryl carboxamide - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Tertiary carboxylic acid amide - Azole - Heteroaromatic compound - 1,2,4-triazole - Triazole - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Alkyl fluoride - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl halide - 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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