Compound Identification
SMILES
COC(=O)C1CC2=C(CN1C(=O)CSC1=NN=C(O1)C(N)CCSC)NC1=CC=CC=C21
InChIKey
InChIKey=OYBCLCWWHNSLRC-UHFFFAOYSA-N
Formula
C21H25N5O4S2
Mass
475.58
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Indoles and derivatives
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Subclass
Pyridoindoles
- Level 5 Beta carbolines
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Subclass
Pyridoindoles
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Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Pyridoindoles
Intermediate Tree Nodes
Not available
Direct Parent
Beta carbolines
Alternative Parents
Alpha amino acid esters 3-alkylindoles Alkylarylthioethers Aralkylamines Benzenoids 1,3,4-oxadiazoles Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Methyl esters Dialkylthioethers Azacyclic compounds Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Hydrocarbon derivatives Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid ester - Beta-carboline - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Aryl thioether - Aralkylamine - Alkylarylthioether - Benzenoid - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Oxadiazole - Methyl ester - Pyrrole - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Dialkylthioether - Thioether - Sulfenyl compound - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organosulfur compound - Organic oxide - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Primary amine - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as beta carbolines. These are compounds containing a 9H-pyrido[3,4-b]indole moiety.
External Descriptors
Not available