Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C2C=C(N=C(NC3=CC=CC=C3)N2N=C1C1=CC=C(C=C1)[N+]([O-])=O)C1=CC=C(C)C=C1

InChIKey

InChIKey=MJVXZFZMCCARQZ-UHFFFAOYSA-N

Formula

C28H23N5O4

Mass

493.523

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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 - Phenylpyrazole - Nitrobenzene - Pyrazolopyrimidine - Nitroaromatic compound - Pyrazole-4-carboxylic acid or derivatives - Aniline or substituted anilines - Aminopyrimidine - Toluene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Azole - Pyrazole - Organic nitro compound - Carboxylic acid ester - C-nitro compound - Amino acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic zwitterion - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Amine - Organic salt - Organic oxide - 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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