Compound Identification
SMILES
CC1=CC(C)=C(OCCOC2=C(Cl)C=C(C=C3C(=N)N4N=C(SC4=NC3=O)C3=CN=CC=C3)C=C2)C=C1
InChIKey
InChIKey=XZMMSAGUKFLVPE-UHFFFAOYSA-N
Formula
C27H22ClN5O3S
Mass
532.02
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Phenol ethers
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol ethers
Alternative Parents
m-Xylenes Phenoxy compounds Pyrimidones Alkyl aryl ethers Chlorobenzenes Pyridines and derivatives Aryl chlorides Imidolactams Hydropyrimidines Thiadiazolines Heteroaromatic compounds N-acylimines Propargyl-type 1,3-dipolar organic compounds Amidines Azacyclic compounds Carboxylic acids and derivatives Carbonyl compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenol ether - Phenoxy compound - Xylene - M-xylene - Alkyl aryl ether - Pyrimidone - Halobenzene - Chlorobenzene - Pyridine - Pyrimidine - Imidolactam - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Monocyclic benzene moiety - Aryl chloride - Aryl halide - Thiadiazoline - Heteroaromatic compound - N-acylimine - Amidine - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
External Descriptors
Not available