Compound Identification
SMILES
COC(=O)C1=CC=C(CNC2=NC(=CC(NC3=NNC(C)=C3)=N2)N2CCOCC2)C=C1
InChIKey
InChIKey=OFBOOOMUWBLEBF-UHFFFAOYSA-N
Formula
C21H25N7O3
Mass
423.477
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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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
Dialkylarylamines Benzylamines Benzoyl derivatives 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 - Benzylamine - Dialkylarylamine - Aminopyrimidine - Morpholine - Imidolactam - Pyrimidine - Oxazinane - Azole - Heteroaromatic compound - Methyl ester - Pyrazole - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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