Structure Information
Structure

Compound Identification

SMILES

BrC1=CN=C(C=C1)N1C(=O)C(=CNC2=C(C#N)C3=C(CCC3)S2)C2=CC=CC=C2C1=O

InChIKey

InChIKey=WMJWRSZEVSTOJH-UHFFFAOYSA-N

Formula

C23H15BrN4O2S

Mass

491.36

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isoquinolines and derivatives

Subclass

1,3-isoquinolinediones

Intermediate Tree Nodes

Not available

Direct Parent

1,3-isoquinolinediones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1,3-isoquinolinedione - Isoquinolone - Tetrahydroisoquinoline - 3,4,5-trisubstituted-2-aminothiophene - Aryl bromide - Aryl halide - Carboxylic acid imide, n-substituted - Pyridine - 2-aminothiophene - Benzenoid - Imidolactam - Carboxylic acid imide - Dicarboximide - Heteroaromatic compound - Thiophene - Vinylogous amide - Azacycle - Carboxylic acid derivative - Enamine - Nitrile - Carbonitrile - Cyanide - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Amine - Organic nitrogen compound - Organobromide - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1,3-isoquinolinediones. These are isoquinoline derivatives carrying one C=O group at positions 1, and 3 respectively.

External Descriptors

Not available

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