Structure Information
Structure

Compound Identification

SMILES

CCCNC(=O)C1=CC(=C(C)C=C1)C1=C2CC[NH+]([O-])C(C2=NC(SC)=N1)C1=C(F)C=CC=C1F

InChIKey

InChIKey=GUQVCWHOXMVNDV-UHFFFAOYSA-N

Formula

C25H26F2N4O2S

Mass

484.57

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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

4-phenylpyrimidine - Pyridopyrimidine - Benzoic acid or derivatives - Benzamide - P-toluamide - Toluamide - Aryl thioether - Benzoyl - Alkylarylthioether - Fluorobenzene - Toluene - Halobenzene - Aryl halide - Aryl fluoride - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Carboxamide group - Disubstituted n-oxide - Secondary carboxylic acid amide - N-oxide - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Thioether - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur 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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