Structure Information
Structure

Compound Identification

SMILES

NC1=C(CN2CCC(NS(=O)(=O)C3=CC4=C(S3)C=CC=N4)C2=O)C=C2C(N)=NC=CC2=C1

InChIKey

InChIKey=UORSJJNIHCUTDL-UHFFFAOYSA-N

Formula

C21H20N6O3S2

Mass

468.55

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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 - Thienopyridine - 2,3,5-trisubstituted thiophene - Aminopyridine - Pyridine - Pyrrolidone - 2-pyrrolidone - Imidolactam - Benzenoid - N-alkylpyrrolidine - Organosulfonic acid amide - Pyrrolidine - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Tertiary carboxylic acid amide - Thiophene - Lactam - Amino acid or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Organic oxygen compound - Carbonyl group - 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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