Structure Information
Structure

Compound Identification

SMILES

[O-]C(=O)C(F)(F)F.NC(=[NH2+])C1=CC=CC(=C1)C1=NOC(CN2C=NN=N2)(C1)C(=O)NC1=NC=C(C=N1)C1=CC=CC=C1S(N)(=O)=O

InChIKey

InChIKey=GEXHVBAMYTYKGR-UHFFFAOYSA-N

Formula

C25H22F3N11O6S

Mass

661.58

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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

Not available

Substituents

5-phenylpyrimidine - Benzenesulfonamide - Benzenesulfonyl group - N-arylamide - Organosulfonic acid amide - Monocyclic benzene moiety - Benzenoid - Alpha-halocarboxylic acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Azole - Isoxazoline - Aminosulfonyl compound - Tetrazole - Sulfonyl - Alpha-halocarboxylic acid or derivatives - Carboxylic acid salt - Secondary carboxylic acid amide - Carboxamide group - Amidine - Oxacycle - Carboxylic acid amidine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Carboximidamide - Monocarboxylic acid or derivatives - Organic zwitterion - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alkyl halide - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur 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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