Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)NS(=O)(=O)C1=CC=C(NC2=CC(=NC3=C(Br)C=NN23)C2=CC=CC=C2)C=C1

InChIKey

InChIKey=BLKYXDMLSONIQT-UHFFFAOYSA-N

Formula

C28H31BrN6O4S

Mass

627.56

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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 - Piperidinecarboxylic acid - Pyrazolopyrimidine - Aniline or substituted anilines - Aminopyrimidine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Piperidine - Organosulfonic acid amide - Azole - Heteroaromatic compound - Aminosulfonyl compound - Carbamic acid ester - Pyrazole - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Organic oxide - Amine - Hydrocarbon derivative - Organic nitrogen 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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