Structure Information
Structure

Compound Identification

SMILES

BrC1=CC=C(C=C1)C(=O)NNC(=O)CSC1=NC(=CC(=N1)C1=CC=CC=C1)C1=CC=CC=C1

InChIKey

InChIKey=QARHDVDDJSHQIG-UHFFFAOYSA-N

Formula

C25H19BrN4O2S

Mass

519.42

Export to:

JSON SDF CSV

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 heteromonocyclic compounds

Substituents

4-phenylpyrimidine - Halobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Benzoic acid or derivatives - Aryl thioether - Benzoyl - Halobenzene - Bromobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid hydrazide - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Thioether - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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

Previous Back Next