Structure Information
Structure

Compound Identification

SMILES

NC1=C2C=C(C#N)C(N)=NC2SC1C(=O)NC1=CC=CC=C1

InChIKey

InChIKey=KOUSBUGUVCWLRR-UHFFFAOYSA-N

Formula

C15H13N5OS

Mass

311.36

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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

Beta amino acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Beta amino acid or derivatives - Pyridinecarboxamide - Thienopyridine - Anilide - N-arylamide - Monocyclic benzene moiety - Benzenoid - Imidolactam - 2,5-dihydrothiophene - Carboxamide group - Secondary carboxylic acid amide - Dialkylthioether - Organic 1,3-dipolar compound - Carboxylic acid amidine - Amidine - Enamine - Carbonitrile - Nitrile - Thioether - Carboximidamide - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organooxygen compound - Primary amine - Organic oxide - Amine - Hydrocarbon derivative - Organic nitrogen compound - Cyanide - Organic oxygen compound - Primary aliphatic amine - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.

External Descriptors

Not available

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