Structure Information
Structure

Compound Identification

SMILES

NC(=N)C1=CC(=CC=C1)N1N=C(C=C1C(=O)NC1=NC=C(C=N1)C1=CC=CC=C1S(N)(=O)=O)C(F)(F)F

InChIKey

InChIKey=CMCYVWKFRRVLKG-UHFFFAOYSA-N

Formula

C22H17F3N8O3S

Mass

530.49

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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 heteromonocyclic compounds

Substituents

5-phenylpyrimidine - Phenylpyrazole - Benzenesulfonamide - Benzenesulfonyl group - 2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Azole - Pyrazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Aminosulfonyl compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboximidamide - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Alkyl halide - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Alkyl fluoride - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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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