Compound Identification
SMILES
ClCCN(CCCl)C1=CC=C(\C=N\NC2=NC=NC3=NC=NC23)C=C1
InChIKey
InChIKey=TZUNZFUKVFKNNZ-NUGSKGIGSA-N
Formula
C16H17Cl2N7
Mass
378.26
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
-
Class
Organonitrogen compounds
- Subclass Nitrogen mustard compounds
-
Class
Organonitrogen compounds
-
Superclass
Organic nitrogen compounds
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Nitrogen mustard compounds
Intermediate Tree Nodes
Not available
Direct Parent
Nitrogen mustard compounds
Alternative Parents
Dialkylarylamines Aniline and substituted anilines Imidolactams Hydropyrimidines Imidazoles Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Amidines Organochlorides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aniline or substituted anilines - Dialkylarylamine - Nitrogen mustard - Tertiary aliphatic/aromatic amine - Monocyclic benzene moiety - Hydropyrimidine - 5,6-dihydropyrimidine - Imidolactam - Benzenoid - Imidazole - Tertiary amine - Amidine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Alkyl halide - Hydrocarbon derivative - Alkyl chloride - Amine - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as nitrogen mustard compounds. These are compounds having two beta-haloalkyl groups bound to a nitrogen atom.
External Descriptors
Not available