Structure Information
Structure

Compound Identification

SMILES

CCCC1=NC=CC2=C1N=C(S2)C1=C(C)N=C(N[C@H](C)C2=CC=C(OC(F)(F)F)C=C2)N=C1N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O

InChIKey

InChIKey=AKZGRBWNQXBUQN-XLIPMNMSSA-N

Formula

C29H33F3N6O4S

Mass

618.68

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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

Phenoxy compound - Phenol ether - Aminopyrimidine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Cyclopentanol - Pyridine - Pyrimidine - Imidolactam - Azole - Cyclic alcohol - Heteroaromatic compound - Thiazole - Secondary alcohol - Trihalomethane - Organoheterocyclic compound - Azacycle - Secondary amine - Alkyl halide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Alkyl fluoride - Organic oxygen compound - Alcohol - Organic nitrogen compound - Halomethane - Amine - Hydrocarbon derivative - 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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