Structure Information
Structure

Compound Identification

SMILES

OC1CCN(CC1)C1=NC=C(C=N1)C1=C(C=CC(F)=C1)N1CCN(CC1)C(C=O)N1C=NC2=C1N=CC=C2

InChIKey

InChIKey=BESPLAQHDSVILK-UHFFFAOYSA-N

Formula

C27H29FN8O2

Mass

516.581

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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 - Imidazopyridine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aminopyrimidine - Halobenzene - Fluorobenzene - N-alkylpiperazine - N-substituted imidazole - Benzenoid - 1,4-diazinane - Monocyclic benzene moiety - Aryl fluoride - Aryl halide - Pyridine - Piperidine - Piperazine - Azole - Heteroaromatic compound - Imidazole - Secondary alcohol - Tertiary amine - Azacycle - Alcohol - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Aldehyde - 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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