Compound Identification
SMILES
CCOC(=O)COC1=CC=C(C=C1)C1=NN2C(=N1)C1=C(N=C2N)N(CCC2=CC=CC=C2)N=C1
InChIKey
InChIKey=QXUUJXYXTIKCSF-UHFFFAOYSA-N
Formula
C24H23N7O3
Mass
457.494
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenoxyacetic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenoxyacetic acid derivatives
Alternative Parents
Phenyl-1,2,4-triazoles Triazolopyrimidines Pyrazolo[3,4-d]pyrimidines Phenoxy compounds Phenol ethers Alkyl aryl ethers Aminopyrimidines and derivatives Pyrazoles Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Primary amines Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxyacetate - Phenyl-1,2,4-triazole - Phenyltriazole - Pyrazolo[3,4-d]pyrimidine - Triazolopyrimidine - Pyrazolopyrimidine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Pyrimidine - Azole - Heteroaromatic compound - Pyrazole - 1,2,4-triazole - Triazole - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
External Descriptors
Not available