Compound Identification
SMILES
CCOC(=O)CNC1=NC(Cl)=NC(NC2=CC=C(I)C=C2)=N1
InChIKey
InChIKey=HPZFWDCPVYRSNA-UHFFFAOYSA-N
Formula
C13H13ClIN5O2
Mass
433.63
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
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Subclass
Amino acids, peptides, and analogues
-
Level 5
Amino acids and derivatives
-
Level 6
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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Level 6
Alpha 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 - Alpha amino acids and derivatives
Direct Parent
Alpha amino acid esters
Alternative Parents
1,3,5-triazine-2,4-diamines Aniline and substituted anilines Secondary alkylarylamines N-aliphatic s-triazines Iodobenzenes Chloro-s-triazines Aryl chlorides Aryl iodides Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organoiodides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alpha-amino acid ester - 2,4-diamine-s-triazine - Aniline or substituted anilines - Iodobenzene - Halobenzene - Secondary aliphatic/aromatic amine - N-aliphatic s-triazine - Chloro-s-triazine - Aminotriazine - Amino-1,3,5-triazine - Halo-s-triazine - Monocyclic benzene moiety - Benzenoid - Triazine - 1,3,5-triazine - Aryl halide - Aryl chloride - Aryl iodide - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Secondary amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Organoiodide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
External Descriptors
Not available