Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC=CC(=C1)C1=CC(NC2=CN=CC=C2)=NC(=N1)N1CCOCC1

InChIKey

InChIKey=LHEDTWWFULIWOR-UHFFFAOYSA-N

Formula

C21H21N5O3

Mass

391.431

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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

4-phenylpyrimidine - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Dialkylarylamine - Aminopyrimidine - Aminopyridine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Morpholine - Pyridine - Oxazinane - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Oxacycle - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - 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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