Structure Information
Structure

Compound Identification

SMILES

CCCCC1=NC(C2=CC=CC=C2)=C(C(=O)OCC)C(=O)N1CC1=CC=C(C=C1)C1=CC=CC=C1C(=O)OC(C)(C)C

InChIKey

InChIKey=QOWSPFKDLQNIMM-UHFFFAOYSA-N

Formula

C35H38N2O5

Mass

566.698

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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

Biphenyl - 4-phenylpyrimidine - Benzoate ester - Benzoic acid or derivatives - Pyrimidine-5-carboxylic acid or derivatives - Pyrimidine-5-carboxylic acid - Hydropyrimidine carboxylic acid derivative - Benzoyl - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Lactam - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - 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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