Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=CC(NC2=NC=CC(=N2)C2=CC=C(NC(=O)C(N3CCOCC3)C3=CC=CC=C3)C=C2)=C1

InChIKey

InChIKey=UIFYJQKYAAAVFS-UHFFFAOYSA-N

Formula

C28H26ClN5O2

Mass

500.0

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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

Alpha-amino acid amide - 4-phenylpyrimidine - Alpha-amino acid or derivatives - Phenylacetamide - Anilide - N-arylamide - Aniline or substituted anilines - Chlorobenzene - Aminopyrimidine - Halobenzene - Aralkylamine - Oxazinane - Benzenoid - Morpholine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - 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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