Compound Identification
SMILES
COC(=O)C1=CC=C(NC2=NC(=CC(NC3=NNC(C)=C3)=N2)N2CCOCC2)C=C1
InChIKey
InChIKey=IKXGXIHBHZAPHF-UHFFFAOYSA-N
Formula
C20H23N7O3
Mass
409.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
-
Subclass
Benzoic acids and derivatives
-
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
Dialkylarylamines Benzoyl derivatives Aniline and substituted anilines Aminopyrimidines and derivatives Morpholines Imidolactams Pyrazoles Methyl esters Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoate ester - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Aminopyrimidine - Morpholine - Oxazinane - Imidolactam - Pyrimidine - Azole - Heteroaromatic compound - Pyrazole - Methyl ester - Carboxylic acid ester - Azacycle - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic 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