Compound Identification
SMILES
CC1=C(OC2=NC(NC3=CC=C(C=C3)C#N)=NC=C2)C(C)=C2OCC(=O)C2=C1
InChIKey
InChIKey=UXSZJXFOVQTITK-UHFFFAOYSA-N
Formula
C21H16N4O3
Mass
372.384
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Ethers
- Level 5 Diarylethers
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Subclass
Ethers
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Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Ethers
Intermediate Tree Nodes
Not available
Direct Parent
Diarylethers
Alternative Parents
Coumarans Benzofurans Phenol ethers Benzonitriles Aryl alkyl ketones Aniline and substituted anilines Aminopyrimidines and derivatives Alkyl aryl ethers Heteroaromatic compounds Secondary amines Oxacyclic compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diaryl ether - Coumaran - Benzofuran - Benzonitrile - Aniline or substituted anilines - Aryl alkyl ketone - Aryl ketone - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Ketone - Oxacycle - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Secondary amine - Organic nitrogen compound - Amine - Cyanide - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
External Descriptors
Not available