Compound Identification
SMILES
CC1=CC(=O)N=C(NN=CC2=CC=C(C=C2)N(CCCl)CCCl)N1
InChIKey
InChIKey=PMSJGCLVJWHLPM-UHFFFAOYSA-N
Formula
C16H19Cl2N5O
Mass
368.26
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic nitrogen compounds
-
Class
Organonitrogen compounds
- Subclass Nitrogen mustard compounds
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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 Pyrimidones Hydropyrimidines Vinylogous amides Heteroaromatic compounds Hydrazones Azacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrogen mustard - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Tertiary amine - Azacycle - Hydrazone - Organoheterocyclic compound - Organochloride - Organohalogen compound - Organic oxygen compound - Amine - Alkyl halide - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Alkyl chloride - Aromatic heteromonocyclic 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