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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylureas
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
N-phenylureas
Intermediate Tree Nodes
Not available
Direct Parent
N-phenylureas
Alternative Parents
Pyrrolidinecarboxamides Aniline and substituted anilines Secondary alkylarylamines Aminopyrimidines and derivatives Halopyrimidines Aryl bromides Imidolactams Imidazoles Heteroaromatic compounds Ureas Tertiary amines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Primary alcohols
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