Compound Identification
SMILES
CC(=O)NCCNC1=NC(=NC2=C1C=C(N2)C(=O)N1CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1
InChIKey
InChIKey=XLJRXQYSDUXKNR-UHFFFAOYSA-N
Formula
C29H33N7O2
Mass
511.63
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenethylamines
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenethylamines
Alternative Parents
Pyrrolo[2,3-d]pyrimidines 2-heteroaryl carboxamides Pyrrole carboxamides Aminopyrimidines and derivatives Aralkylamines N-alkylpiperazines Imidolactams Substituted pyrroles Heteroaromatic compounds Acetamides Tertiary carboxylic acid amides Amino acids and derivatives Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyrimidine - Phenethylamine - Pyrrolo[2,3-d]pyrimidine - 2-heteroaryl carboxamide - Pyrrole-2-carboxylic acid or derivatives - Pyrrole-2-carboxamide - Aralkylamine - N-alkylpiperazine - Aminopyrimidine - Pyrimidine - Imidolactam - Substituted pyrrole - Piperazine - 1,4-diazinane - Heteroaromatic compound - Acetamide - Pyrrole - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
External Descriptors
Not available