Structure Information
Structure

Compound Identification

SMILES

CN1N=CC(CNC(=O)C2=C(Cl)C3=NC(CC(N3N2)C(F)(F)F)C2=CC=CC=C2)=C1C

InChIKey

InChIKey=DBQGCNQXDAALSM-UHFFFAOYSA-N

Formula

C20H20ClF3N6O

Mass

452.87

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Subclass

Amino acids, peptides, and analogues

Intermediate Tree Nodes

Amino acids and derivatives

Direct Parent

Alpha amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha-amino acid or derivatives - Pyrazolopyrimidine - Pyrimidinecarboxamide - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyrimidine - Benzenoid - Imidolactam - Vinylogous halide - Heteroaromatic compound - Azole - Pyrazole - Pyrazoline - Carboxamide group - Carboxylic acid amidrazone - Secondary carboxylic acid amide - Amidine - Azacycle - Chloroalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Haloalkene - Organoheterocyclic compound - Vinyl chloride - Vinyl halide - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Organochloride - Carbonyl group - Alkyl fluoride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.

External Descriptors

Not available

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