Structure Information
Structure

Compound Identification

SMILES

CCOC1=C(OC(C)C)C=CC(=C1)C(NC1=CC2=C(C=C1)C(N)=NC=C2)C(=O)NS(=O)(=O)C1=NC=CC2=C1C=NS2

InChIKey

InChIKey=XDJNSHAYCOADPG-UHFFFAOYSA-N

Formula

C28H28N6O5S2

Mass

592.69

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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

N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Isoquinoline - Pyridine-2-sulfonamide - Phenylacetamide - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aminopyridine - Aralkylamine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Pyridine - Imidolactam - Benzenoid - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Thiazole - Sulfonyl - Organosulfonic acid or derivatives - Azole - Heteroaromatic compound - Amino acid or derivatives - Secondary amine - Azacycle - Carboxylic acid derivative - Ether - Organic oxide - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Primary amine - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organooxygen compound - 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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