Structure Information
Structure

Compound Identification

SMILES

COC1=C(C=C(C=C1)N1CCN(C)CC1)C1=C2N=CC(=C(N)N2N=C1)C1=CC=C(OCC2=CC=CC=C2)C=C1

InChIKey

InChIKey=ORTLNLBLAVVQIO-UHFFFAOYSA-N

Formula

C31H32N6O2

Mass

520.637

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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 heteropolycyclic compounds

Substituents

Phenylpiperazine - 5-phenylpyrimidine - N-arylpiperazine - Phenylpyrazole - Aminophenyl ether - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Methoxyaniline - Anisole - Phenol ether - Phenoxy compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - N-methylpiperazine - Alkyl aryl ether - Aminopyrimidine - N-alkylpiperazine - Monocyclic benzene moiety - Piperazine - Benzenoid - 1,4-diazinane - Pyrazole - Azole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Ether - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Primary amine - Aromatic heteropolycyclic 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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