Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C1)C1=CN=C(NC2=CC=C(CN3CCC(C3)C(O)=O)C=C2)N=C1

InChIKey

InChIKey=ONCGOYMXFFUELZ-UHFFFAOYSA-N

Formula

C23H24N4O3

Mass

404.47

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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 - Anisole - Benzylamine - Phenol ether - Phenylmethylamine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Aniline or substituted anilines - Methoxybenzene - Phenoxy compound - Aralkylamine - Aminopyrimidine - Alkyl aryl ether - Benzenoid - N-alkylpyrrolidine - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrolidine - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Amino acid - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carbonyl group - Organonitrogen compound - Amine - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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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