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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Isoquinolines and derivatives
- Subclass 1,3-isoquinolinediones
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Class
Isoquinolines and derivatives
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Superclass
Organoheterocyclic compounds
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
Isoquinolones and derivatives Tetrahydroisoquinolines 3,4,5-trisubstituted-2-aminothiophenes Pyridines and derivatives Aryl bromides N-substituted carboxylic acid imides Imidolactams Benzenoids Vinylogous amides Heteroaromatic compounds Dicarboximides Nitriles Azacyclic compounds Enamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
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