Structure Information
Structure

Compound Identification

SMILES

OC1=CC(=O)NC(SCC(=O)N2CC3CC(C2)C2=CC=CC(=O)N2C3)=N1

InChIKey

InChIKey=ZIMRYGMCZYKLBF-UHFFFAOYSA-N

Formula

C17H18N4O4S

Mass

374.42

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Lupin alkaloids

Subclass

Cytisine and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Cytisine and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cytisine - N-acyl-piperidine - Aryl thioether - Pyridinone - Pyrimidone - Alkylarylthioether - Hydroxypyrimidine - Hydropyrimidine - Piperidine - Pyridine - Pyrimidine - Tertiary carboxylic acid amide - Heteroaromatic compound - Vinylogous acid - Carboxamide group - Lactam - Sulfenyl compound - Thioether - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carbonyl group - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cytisine and derivatives. These are lupin alkaloids with a structure based on the cytisine skeleton, which is a tetracyclic ketone containing fused pyridine and piperidine rings that form pyrido[1,2a][1,5]diazocin-8-one.

External Descriptors

Not available

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