Structure Information
Structure

Compound Identification

SMILES

COC1=CC(CN)=C(C=C1)N1N=C(C=C1C(=O)NC1=NC=C(C=N1)C1=CC=CC=C1S(N)(=O)=O)C(F)(F)F

InChIKey

InChIKey=XQTLJPUHHJTMBC-UHFFFAOYSA-N

Formula

C23H20F3N7O4S

Mass

547.51

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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

5-phenylpyrimidine - Phenylpyrazole - Benzenesulfonamide - Methoxyaniline - Benzenesulfonyl group - Anisole - 2-heteroaryl carboxamide - Benzylamine - Phenol ether - Phenylmethylamine - Phenoxy compound - Methoxybenzene - Pyrazole-5-carboxamide - Aralkylamine - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Heteroaromatic compound - Azole - Pyrazole - Organic sulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Azacycle - Ether - Carboxylic acid derivative - Alkyl fluoride - Primary aliphatic amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Alkyl halide - Organic oxide - Organooxygen compound - Organosulfur compound - Amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary amine - 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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