Structure Information
Structure

Compound Identification

SMILES

CC1=CC(C)=C(C=C1)N1C(=S)NC(=O)C(C2NCCC3=C2NC2=CC=CC=C32)=C1O

InChIKey

InChIKey=ZEABXAFGVRHBKJ-UHFFFAOYSA-N

Formula

C23H22N4O2S

Mass

418.52

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Harmala alkaloids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Harmala alkaloids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Harman - Pyridoindole - Beta-carboline - Pyridopyrimidine - 3-alkylindole - Indole or derivatives - Indole - M-xylene - Xylene - Pyrimidinethione - Aralkylamine - Thiopyrimidine - 2-thiopyrimidine - Pyrimidone - Hydroxypyrimidine - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Pyrrole - Lactam - Thiourea - Organoheterocyclic compound - Azacycle - Secondary aliphatic amine - Secondary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as harmala alkaloids. These are compounds with a structure based on harmaline, harmine, harmalol, harman or a derivative of those parents. These parents are beta-carbolines, consisting of a pyrimidine fused to the pyrrole moiety of an indole to form a pyrido[3,4-b]indole.

External Descriptors

Not available

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