Compound Identification
SMILES
BrC1=CC=C(C=C1)N1N=NN=C1SCC(=O)N1CC2CC(C1)C1=CC=CC(=O)N1C2
InChIKey
InChIKey=ZJIVIIYLAODNRZ-UHFFFAOYSA-N
Formula
C20H19BrN6O2S
Mass
487.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Lupin alkaloids
- Subclass Cytisine and derivatives
-
Class
Lupin alkaloids
-
Superclass
Alkaloids and derivatives
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
Phenyltetrazoles and derivatives N-acylpiperidines Pyridinones Alkylarylthioethers Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Azacyclic compounds Sulfenyl compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Phenyltetrazole - N-acyl-piperidine - Aryl thioether - Halobenzene - Pyridinone - Bromobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Piperidine - Pyridine - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Tetrazole - Azole - Heteroaromatic compound - Carboxamide group - Lactam - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - 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