Structure Information
Structure

Compound Identification

SMILES

NC1=NN2C(=NC(=O)C=C2C2=CC=CC=C2)\C1=N/NC1=CC=C(Br)C=C1

InChIKey

InChIKey=NKNVKEJWJHGLTI-KQWNVCNZSA-N

Formula

C18H13BrN6O

Mass

409.247

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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 - Pyrazolopyrimidine - Phenylhydrazine - Bromobenzene - Halobenzene - Pyrimidone - Aryl bromide - Imidolactam - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Pyrazole - Carboxylic acid amidrazone - Hydrazone - Amidine - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen 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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