Compound Identification
SMILES
COC1=NC(NC2=CC3=C(NN=C3)C=C2)=NC(NCCC2=CNC3=CC=CC=C23)=N1
InChIKey
InChIKey=NSJQROISOSHTBB-UHFFFAOYSA-N
Formula
C21H20N8O
Mass
400.446
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
-
Subclass
Indoles
- Level 5 3-alkylindoles
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Subclass
Indoles
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Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indoles
Intermediate Tree Nodes
Not available
Direct Parent
3-alkylindoles
Alternative Parents
Indazoles 2-methoxy-1,3,5-triazines 1,3,5-triazine-2,4-diamines N-aliphatic s-triazines Alkyl aryl ethers Substituted pyrroles Benzenoids Pyrazoles Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-alkylindole - Benzopyrazole - Indazole - 2,4-diamine-s-triazine - 2-methoxy-1,3,5-triazine - Alkoxy-s-triazine - Alkyl aryl ether - Amino-1,3,5-triazine - Aminotriazine - N-aliphatic s-triazine - Substituted pyrrole - Triazine - 1,3,5-triazine - Benzenoid - Pyrrole - Pyrazole - Heteroaromatic compound - Azole - Azacycle - Ether - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
External Descriptors
Not available