Structure Information
Structure

Compound Identification

SMILES

OCC1CN(CC(CC#N)N2C=C(C=N2)C2=C3C=CNC3=NC=N2)CCN1C(=O)C1=C(F)C=C(C=C1)C#N

InChIKey

InChIKey=IQCRKENSPYVHCE-UHFFFAOYSA-N

Formula

C26H24FN9O2

Mass

513.537

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Halobenzoic acids and derivatives

Direct Parent

2-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

2-halobenzoic acid or derivatives - Benzamide - Pyrrolopyrimidine - Pyrrolo[2,3-d]pyrimidine - Benzonitrile - Benzoyl - Fluorobenzene - N-alkylpiperazine - Halobenzene - 1,4-diazinane - Aryl fluoride - Pyrimidine - Aryl halide - Piperazine - Heteroaromatic compound - Vinylogous halide - 1,3-aminoalcohol - Tertiary carboxylic acid amide - Azole - Pyrrole - Pyrazole - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Nitrile - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Carbonitrile - Organic oxide - Organohalogen compound - Organofluoride - Alcohol - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Primary alcohol - Organic oxygen compound - Cyanide - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring.

External Descriptors

Not available

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