Compound Identification
SMILES
CCCOC(=O)C1=CC=C(NC2=CC(C)=NC3=NC=NN23)C=C1
InChIKey
InChIKey=IBDFZRCZZZMHPN-UHFFFAOYSA-N
Formula
C16H17N5O2
Mass
311.345
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
Triazolopyrimidines Benzoyl derivatives Aniline and substituted anilines Aminopyrimidines and derivatives Triazoles Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Secondary amines Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Triazolopyrimidine - Benzoyl - Aniline or substituted anilines - Aminopyrimidine - Pyrimidine - Azole - Heteroaromatic compound - 1,2,4-triazole - Triazole - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen 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