Structure Information
Structure

Compound Identification

SMILES

CC1=NN(C(C=O)N2CCN(CC2)C2=CC=CC=C2C2=CN=C(N)N=C2)C(C)=C1

InChIKey

InChIKey=IEWUFPDFTSNPCG-UHFFFAOYSA-N

Formula

C21H25N7O

Mass

391.479

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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

Phenylpiperazine - 5-phenylpyrimidine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Aminopyrimidine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Pyrazole - Azole - Heteroaromatic compound - Tertiary amine - Azacycle - Hydrocarbon derivative - Primary amine - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Aldehyde - 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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