Compound Identification
SMILES
CCOC(=O)CN1C=NC2=C1NC(=O)N=C2SCC1=CC=CC=C1
InChIKey
InChIKey=HKRQQJPFDYSNQJ-UHFFFAOYSA-N
Formula
C16H16N4O3S
Mass
344.39
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
Alpha amino acids and derivatives
- Level 7 Alpha amino acid esters
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Level 6
Alpha amino acids and derivatives
-
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
Purinones 6-thiopurines Pyrimidones Alkylarylthioethers N-substituted imidazoles Benzene and substituted derivatives Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Purinone - 6-thiopurine - Imidazopyrimidine - Purine - Aryl thioether - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Carboxylic acid ester - Sulfenyl compound - Thioether - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic 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