Compound Identification
SMILES
COC1=NC(N)=NC(CNC[C@@H](O)[C@H](CC2=CC=CC=C2)NC(=O)C2=CC(=CC=C2)C(=O)N(C)CC2=NC(C)=CS2)=C1
InChIKey
InChIKey=QSYBOAJJEUPAEZ-LOSJGSFVSA-N
Formula
C30H35N7O4S
Mass
589.72
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylbutylamines
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylbutylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbutylamines
Alternative Parents
Amphetamines and derivatives Benzamides Benzoyl derivatives 2,4-disubstituted thiazoles Alkyl aryl ethers Aminopyrimidines and derivatives Aralkylamines Heteroaromatic compounds Tertiary carboxylic acid amides Secondary carboxylic acid amides Tertiary amines Amino acids and derivatives 1,2-aminoalcohols Secondary alcohols Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylbutylamine - Amphetamine or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Aminopyrimidine - Aralkylamine - Pyrimidine - Azole - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Secondary amine - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Secondary aliphatic amine - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Primary amine - Organic oxygen compound - Alcohol - Amine - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
External Descriptors
Not available