Structure Information
Structure

Compound Identification

SMILES

Cl.NCCC(=O)OCSC1=NC=NC2=C1NC=N2

InChIKey

InChIKey=SRTCQUKCKMOOAR-UHFFFAOYSA-N

Formula

C9H12ClN5O2S

Mass

289.74

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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 - 6-thiopurine - Imidazopyrimidine - Purine - Aryl thioether - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Monothioacetal - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Hydrochloride - Primary aliphatic amine - Amine - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organosulfur compound - Primary amine - Organic nitrogen compound - Organic oxygen compound - 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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