Structure Information
Structure

Compound Identification

SMILES

OC[C@@H]1CCCN1C(=O)NC1=CC=CC(NC2=NC=C(Br)C(NCCC3=CN=CN3)=N2)=C1

InChIKey

InChIKey=BKDXRKHFHJIVGM-KRWDZBQOSA-N

Formula

C21H25BrN8O2

Mass

501.389

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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 - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-1-carboxamide - Aniline or substituted anilines - Aminopyrimidine - Halopyrimidine - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl halide - Pyrimidine - Imidolactam - Pyrrolidine - Heteroaromatic compound - Azole - Imidazole - Urea - Tertiary amine - Secondary amine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Organic oxide - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Amine - Alcohol - Primary alcohol - Organic nitrogen compound - 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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