Structure Information
Structure

Compound Identification

SMILES

CCCCCN1N=C(C(=O)OCC(=O)C2=CC=C(C)S2)C2=CC=CC=C2C1=O

InChIKey

InChIKey=DUFIKTJGNMOGAX-UHFFFAOYSA-N

Formula

C21H22N2O4S

Mass

398.48

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazanaphthalenes

Subclass

Benzodiazines

Intermediate Tree Nodes

Phthalazines

Direct Parent

Phthalazinones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phthalazinone - Aryl alkyl ketone - Aryl ketone - 2,5-disubstituted thiophene - Pyridazinone - Pyridazine - Benzenoid - Heteroaromatic compound - Thiophene - Carboxylic acid ester - Ketone - Lactam - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phthalazinones. These are compounds containing a phthalazine bearing a ketone group.

External Descriptors

Not available

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