Structure Information
Structure

Compound Identification

SMILES

COC1=C(C=C(C=C1)S(C)=O)C1=NC2=C3C=NC(C)(C)C(=O)C3CC(=O)C2=N1

InChIKey

InChIKey=NMNPCBWUGZQWNE-UHFFFAOYSA-N

Formula

C20H19N3O4S

Mass

397.45

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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

Aromatic heteropolycyclic compounds

Substituents

Isoquinolone - Phenyl sulfoxide - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Cyclohexenone - Tetrahydropyridine - Monocyclic benzene moiety - Benzenoid - Imidazole - Ketone - Sulfoxide - Ether - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfinyl compound - Organic oxygen compound - Imine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - 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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