Compound Identification
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.FC1=CC=CC(F)=C1NC(=O)NC1=CNN\C1=C1/N=C2C=CC(CN3CCOCC3)=CC2=N1
InChIKey
InChIKey=UFGHKBBAWDPJEA-ANVLNOONSA-N
Formula
C28H29F2N7O9
Mass
645.577
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
Tricarboxylic acids and derivatives Benzimidazoles Aralkylamines Fluorobenzenes Alpha hydroxy acids and derivatives Morpholines Aryl fluorides Tertiary alcohols Pyrazolines Ureas Trialkylamines Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carboxylic acids Carbonyl compounds Hydrazines and derivatives Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Not available
Substituents
N-phenylurea - Benzimidazole - Tricarboxylic acid or derivatives - Fluorobenzene - Halobenzene - Aralkylamine - Alpha-hydroxy acid - Aryl fluoride - Aryl halide - Hydroxy acid - Morpholine - Oxazinane - Pyrazoline - Tertiary alcohol - Tertiary amine - Urea - Tertiary aliphatic amine - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Amine - Organic nitrogen compound - Alcohol - Carbonyl group - Organic oxide - Hydrazine derivative - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic 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