Structure Information
Structure

Compound Identification

SMILES

CN(CC(O)C1=CC=CC=C1)C1=C(NC(=O)NC2=NC=C(N=C2)C#N)C=C(Cl)C=C1

InChIKey

InChIKey=XDROTNZAWWKOTD-UHFFFAOYSA-N

Formula

C21H19ClN6O2

Mass

422.87

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

N-phenylureas

Intermediate Tree Nodes

Not available

Direct Parent

N-phenylureas

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

N-phenylurea - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Imidolactam - Aryl halide - Pyrazine - Heteroaromatic compound - Urea - Tertiary amine - 1,2-aminoalcohol - Secondary alcohol - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Alcohol - Organic oxygen compound - Carbonyl group - Aromatic alcohol - Amine - Cyanide - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea group.

External Descriptors

Not available

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