Compound Identification
SMILES
Cl.NCCC(=O)OCSC1=NC=NC2=C1NC=N2
InChIKey
InChIKey=SRTCQUKCKMOOAR-UHFFFAOYSA-N
Formula
C9H12ClN5O2S
Mass
289.74
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
- Level 6 Beta amino acids and derivatives
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Level 5
Amino acids and derivatives
-
Subclass
Amino acids, peptides, and analogues
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
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
6-thiopurines Aryl thioethers Pyrimidines and pyrimidine derivatives Monothioacetals Imidazoles Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
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