Structure Information
Structure

Compound Identification

SMILES

NCCNC1=NC(=NC2=C1N=CN2C1=CC=C(Cl)C=C1)C#N

InChIKey

InChIKey=ILVKKBYDRWXMGO-UHFFFAOYSA-N

Formula

C14H12ClN7

Mass

313.75

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Imidazoles

Intermediate Tree Nodes

Substituted imidazoles

Direct Parent

Phenylimidazoles

Alternative Parents

6-alkylaminopurines Chlorobenzenes Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Organochlorides Monoalkylamines Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-phenylimidazole - 6-alkylaminopurine - 6-aminopurine - Imidazopyrimidine - Purine - Aminopyrimidine - Chlorobenzene - Halobenzene - Pyrimidine - Imidolactam - Benzenoid - Aryl chloride - Aryl halide - N-substituted imidazole - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Primary amine - Cyanide - Organic nitrogen compound - Amine - Primary aliphatic amine - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.

External Descriptors

Not available

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