Compound Identification
SMILES
CC(C)C1=CC=C(NC(=O)NC2=CC=CC(=C2)C2=NC(=O)C(O)=C(N2)C(O)=O)C=C1
InChIKey
InChIKey=KLVVUMPAENUTCZ-UHFFFAOYSA-N
Formula
C21H20N4O5
Mass
408.414
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass N-phenylureas
-
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
Cumenes Hydropyrimidine carboxylic acids and derivatives Pyrimidinecarboxylic acids Phenylpropanes Hydroxypyrimidines Pyrimidones Vinylogous amides Heteroaromatic compounds Vinylogous acids Ureas Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-phenylurea - Cumene - Hydropyrimidine carboxylic acid derivative - Phenylpropane - Pyrimidine-6-carboxylic acid - Pyrimidine-6-carboxylic acid or derivatives - Hydroxypyrimidine - Pyrimidone - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Vinylogous acid - Vinylogous amide - Urea - Organoheterocyclic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - 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