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Structure Information
Structure

Compound Identification

SMILES

CC1=NC(=NC(=C1)C1=CC(C)=C(C=C1)C(F)(F)F)C1=CC=CC(=C1)C1=CC(=CC=C1)S(N)(=O)=O

InChIKey

InChIKey=XTBQUWLINIUFKK-UHFFFAOYSA-N

Formula

C25H20F3N3O2S

Mass

483.51

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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

Biphenyl - 4-phenylpyrimidine - Benzenesulfonamide - Trifluoromethylbenzene - Benzenesulfonyl group - Toluene - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Aminosulfonyl compound - Azacycle - Alkyl fluoride - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Alkyl halide - Organic nitrogen compound - Organic oxygen compound - 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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