Structure Information
Structure

Compound Identification

SMILES

CC1=CC=CC=C1CC(=O)NC1=CC=C(C=C1)C1=C(COCC2=CC=CC=C2)N=C(N)N=C1N

InChIKey

InChIKey=HEYWYTQCYQQGQO-UHFFFAOYSA-N

Formula

C27H27N5O2

Mass

453.546

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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

5-phenylpyrimidine - Phenylacetamide - Benzylether - Anilide - N-arylamide - Aminopyrimidine - Toluene - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Primary amine - Organic nitrogen 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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