Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C(\C)=N/NC(=O)NC1=NC(=CC(=N1)C1=CC=C(Cl)C=C1)C1=CC=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=UMVXZDIJYPAWBM-ACXHZZMFSA-N

Formula

C26H21ClN6O4

Mass

516.94

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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 heteromonocyclic compounds

Substituents

4-phenylpyrimidine - Nitrobenzene - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Semicarbazone - Benzenoid - Semicarbazide - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Ether - Organic oxoazanium - Organic salt - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - 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

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