Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenol ethers

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenol ethers

Alternative Parents

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

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