Compound Identification
SMILES
NC(NC(=O)C1=C(N)N=C(N)C(Cl)=N1)=NCCCCC1=CC=C(OCC(=O)N2CCNCC2)C=C1
InChIKey
InChIKey=OCJGAMGUWUGYRM-UHFFFAOYSA-N
Formula
C22H30ClN9O3
Mass
503.99
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylbutylamines
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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
Pyrazinecarboxamides Phenol ethers Phenoxy compounds Alkyl aryl ethers Aminopyrazines Aryl chlorides Imidolactams Piperazines Heteroaromatic compounds Vinylogous amides Tertiary carboxylic acid amides Amino acids and derivatives Guanidines Dialkylamines Carboximidamides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylbutylamine - Pyrazine carboxylic acid or derivatives - Pyrazinecarboxamide - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aminopyrazine - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Pyrazine - Imidolactam - Tertiary carboxylic acid amide - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Amino acid or derivatives - Guanidine - Secondary amine - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Primary amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Amine - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen 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