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=CC=C(CN)C=C1

InChIKey

InChIKey=DSQCQIIRLORHQW-UHFFFAOYSA-N

Formula

C29H33N5O5S

Mass

563.67

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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

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