Structure Information
Structure

Compound Identification

SMILES

CC1=CC(NC(=O)NC2=CC=C(C=C2)C2=C3N(C=C2CO)N=CN=C3N)=C(F)C=C1

InChIKey

InChIKey=JNJCXJCSSKRHIT-UHFFFAOYSA-N

Formula

C21H19FN6O2

Mass

406.421

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrroles

Subclass

Substituted pyrroles

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrroles

Alternative Parents

N-phenylureas Pyrrolo[2,1-f][1,2,4]triazines Toluenes Fluorobenzenes 1,2,4-triazines Aryl fluorides Imidolactams Heteroaromatic compounds Ureas Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organofluorides Primary alcohols Aromatic alcohols Primary amines

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3-phenylpyrrole - N-phenylurea - Pyrrolo[2,1-f][1,2,4]triazine - Fluorobenzene - Halobenzene - Toluene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Triazine - Benzenoid - Imidolactam - 1,2,4-triazine - Heteroaromatic compound - Urea - Azacycle - Primary amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alcohol - Primary alcohol - Aromatic alcohol - Amine - Carbonyl group - Aromatic heteropolycyclic compound

Description

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

External Descriptors

Not available

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