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Structure Information
Structure

Compound Identification

SMILES

CN1CC(CSC2=CC=CC=N2)C=C2[C@@H]1CC1CNC3=CC=CC2=C13

InChIKey

InChIKey=FQTIRZGRPVLRMG-ZOJXTTQQSA-N

Formula

C21H23N3S

Mass

349.5

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

6,7-secoergolines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

6,7-secoergolines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

6,7-secoergoline - Ergoline skeleton - Benzoquinoline - Tetralin - Quinoline - Indole or derivatives - Dihydroindole - Isoindole or derivatives - Aryl thioether - Aralkylamine - Alkylarylthioether - Secondary aliphatic/aromatic amine - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Thioether - Sulfenyl compound - Organoheterocyclic compound - Azacycle - Secondary amine - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 6,7-secoergolines. These are compounds containing a tricyclic ergoline analog, where carbon atoms C6 and C7 are not linked to each other.

External Descriptors

Not available

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