Structure Information
Structure

Compound Identification

SMILES

CC1=CC=C(C=C1)S(=O)(=O)C1=C(C=C(C=NNC2=NC3=C(C=C(Br)C=C3)C(=N2)C2=CC=CC=C2)C=C1)[N+]([O-])=O

InChIKey

InChIKey=FGAWIYLCQLTMQF-UHFFFAOYSA-N

Formula

C28H20BrN5O4S

Mass

602.46

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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 - Quinazolinamine - Quinazoline - Tosyl compound - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Toluene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Sulfone - Sulfonyl - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Hydrazone - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organobromide - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxide - Organic nitrogen compound - Organic salt - Organic zwitterion - 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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