Structure Information
Structure

Compound Identification

SMILES

CC1CCN(CC1)C1=C(C(Cl)=NC2=C(C=NN12)S(O)(=O)=O)C1=C(Cl)C=C(F)C=C1

InChIKey

InChIKey=FTPQLEHIZPBAPP-UHFFFAOYSA-N

Formula

C18H17Cl2FN4O3S

Mass

459.32

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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 - Arylsulfonic acid or derivatives - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Dialkylarylamine - Aminopyrimidine - Chlorobenzene - Fluorobenzene - Halobenzene - Halopyrimidine - Piperidine - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl fluoride - Aryl chloride - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Pyrazole - Azole - Tertiary amine - Azacycle - Organic oxide - Amine - Organohalogen compound - Organochloride - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - 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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