Structure Information
Structure

Compound Identification

SMILES

CN1CCN(CCOC2=CC=C(NC3=NC(=CC(C)=N3)C3=CC=C(OCCC4=CC=C(Cl)C=C4)C=C3)C=C2)CC1

InChIKey

InChIKey=ZJUXTERELMRWQZ-UHFFFAOYSA-N

Formula

C32H36ClN5O2

Mass

558.12

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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 - Phenol ether - Phenoxy compound - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Chlorobenzene - Halobenzene - N-methylpiperazine - N-alkylpiperazine - Piperazine - Benzenoid - Aryl halide - Aryl chloride - Monocyclic benzene moiety - 1,4-diazinane - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Organic oxygen compound - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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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