Structure Information
Structure

Compound Identification

SMILES

[B]C1=C2N=C(C=C(NCC3CCCN(C3)S(=O)(=O)C3=CC(Cl)=CC(Cl)=C3)N2N=C1)C1=CC=CC=C1Cl

InChIKey

InChIKey=BRCFLEPWRYJROM-UHFFFAOYSA-N

Formula

C24H21BCl3N5O2S

Mass

560.69

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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 - Benzenesulfonamide - Pyrazolo[1,5-a]pyrimidine - Benzenesulfonyl group - Pyrazolopyrimidine - 1,3-dichlorobenzene - Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Organosulfonic acid amide - Benzenoid - Pyrazole - Azole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Azacycle - Organic metalloid salt - Amine - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic metalloid moeity - Organochloride - Organonitrogen compound - Organic nitrogen 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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