Compound Identification
SMILES
COC(=O)C1=CC=C(NC2=NC(=O)C3N=CN=C3N2)C=C1
InChIKey
InChIKey=BMXHWKAGEYEDMK-UHFFFAOYSA-N
Formula
C13H11N5O3
Mass
285.263
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Alpha amino acids and derivatives Aniline and substituted anilines Benzoyl derivatives Pyrimidones Imidolactams Hydropyrimidines Methyl esters Imidazoles N-acylimines Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxamidines Carboximidamides Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Benzoate ester - Benzoyl - Aniline or substituted anilines - Pyrimidone - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyrimidine - Imidolactam - Imidazole - Methyl ester - Carboxylic acid ester - Guanidine - N-acylimine - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid amidine - Carboxylic acid derivative - Amidine - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available