Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(F)(F)F.C[C@H](NC1=C2N=CSC2=NC=N1)C1=CC2=C(C(=O)N1C1=CC=CC=C1)C(=CC=C2)C1=CC(CN)=CC=C1

InChIKey

InChIKey=SQSKGGSPNMGWKO-FERBBOLQSA-N

Formula

C31H25F3N6O3S

Mass

618.64

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isoquinolines and derivatives

Subclass

Isoquinolones and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Isoquinolones and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

Isoquinolone - 1,3-thiazolo[5,4-d]pyrimidine - Benzylamine - Phenylmethylamine - Aminopyrimidine - Pyridinone - Aralkylamine - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Alpha-halocarboxylic acid or derivatives - Thiazole - Alpha-halocarboxylic acid - Azole - Lactam - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl halide - Primary aliphatic amine - Organic oxide - Organohalogen compound - Organofluoride - Carbonyl group - Organic oxygen compound - Alkyl fluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Primary amine - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.

External Descriptors

Not available

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