Structure Information
Structure

Compound Identification

SMILES

C[C@@H](NC1=C(C(Cl)=NC2=NC=NN12)C1=C(F)C=C(OCCCN2CCCC2)C=C1F)C(F)(F)F

InChIKey

InChIKey=MEZUNAKNPOIBGG-GFCCVEGCSA-N

Formula

C21H22ClF5N6O

Mass

504.89

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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

5-phenylpyrimidine - Triazolopyrimidine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Fluorobenzene - Halobenzene - Halopyrimidine - Aryl chloride - Aryl fluoride - Aryl halide - Benzenoid - N-alkylpyrrolidine - Monocyclic benzene moiety - Heteroaromatic compound - Azole - 1,2,4-triazole - Triazole - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Ether - Azacycle - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen 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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