Structure Information
Structure

Compound Identification

SMILES

CC1=C(SC(NC(=O)C2=C3N=C(C=C(N3N=C2)C(F)(F)F)C2=CC(OCC(F)(F)F)=C(C=C2)C(F)(F)F)=N1)S(N)(=O)=O

InChIKey

InChIKey=XLWDEEZLJTYYKV-UHFFFAOYSA-N

Formula

C21H13F9N6O4S2

Mass

648.48

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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 - Trifluoromethylbenzene - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Pyrimidinecarboxamide - 2,4,5-trisubstituted 1,3-thiazole - Phenoxy compound - Pyrazole-4-carboxamide - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Azole - Heteroaromatic compound - Pyrazole - Vinylogous amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Ether - Organic oxygen compound - Organofluoride - Organohalogen compound - Organonitrogen compound - Alkyl fluoride - Organooxygen compound - Alkyl halide - Organosulfur compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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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