Structure Information
Structure

Compound Identification

SMILES

CN(CC1=CC=C(F)C=C1)C(=O)CSC1=NN=C([C@H]2COC3=CC=CC=C3O2)N1C

InChIKey

InChIKey=DMRPPTQUTFXEDW-GOSISDBHSA-N

Formula

C21H21FN4O3S

Mass

428.48

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzodioxanes

Subclass

Benzo-1,4-dioxanes

Intermediate Tree Nodes

Not available

Direct Parent

Benzo-1,4-dioxanes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzo-1,4-dioxane - Aryl thioether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Para-dioxin - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - 1,2,4-triazole - Amino acid or derivatives - Carboxamide group - Tertiary amine - Sulfenyl compound - Azacycle - Oxacycle - Ether - Thioether - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring.

External Descriptors

Not available

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