Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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