Structure Information
Structure

Compound Identification

SMILES

NC(=N)C1=CC(CN2CCC(NS(=O)(=O)C3=CC4=C(C=C3)C(N)=NC=C4)C2=O)=CC=C1

InChIKey

InChIKey=OBRZWIHVRAXSSU-UHFFFAOYSA-N

Formula

C21H22N6O3S

Mass

438.51

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isoquinolines and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Isoquinolines and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha-amino acid or derivatives - Isoquinoline - Aminopyridine - Pyrrolidone - 2-pyrrolidone - Organosulfonic acid amide - N-alkylpyrrolidine - Benzenoid - Imidolactam - Pyridine - Monocyclic benzene moiety - Pyrrolidine - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Amino acid or derivatives - Carboxamide group - Lactam - Carboxylic acid derivative - Amidine - Carboxylic acid amidine - Azacycle - Carboximidamide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoquinolines and derivatives. These are aromatic polycyclic compounds containing an isoquinoline moiety, which consists of a benzene ring fused to a pyridine ring and forming benzo[c]pyridine.

External Descriptors

Not available

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