Structure Information
Structure

Compound Identification

SMILES

OCC1=CC=CC(=C1)C1=CN=C(NC(=O)C2CCC3(CC2)OC(=O)C2=C3C=CN=C2)N=C1

InChIKey

InChIKey=BWIDXHATHQOPRJ-UHFFFAOYSA-N

Formula

C24H22N4O4

Mass

430.464

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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

5-phenylpyrimidine - Pyridine carboxylic acid - Benzyl alcohol - N-arylamide - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Lactone - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - Aromatic alcohol - 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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