Structure Information
Structure

Compound Identification

SMILES

CC1=C(C=C(NC(=O)NC2=CC=CC(=C2)C2=CN3C=CN=C3C(=N2)N2C=CN=C2C2=CC=NC=C2)C=C1)C(F)(F)F

InChIKey

InChIKey=PSIOTIHROIOLGQ-UHFFFAOYSA-N

Formula

C29H21F3N8O

Mass

554.537

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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 heteropolycyclic compounds

Substituents

N-phenylurea - Trifluoromethylbenzene - Imidazopyrazine - Toluene - N-substituted imidazole - Pyrazine - Pyridine - Heteroaromatic compound - Azole - Imidazole - Urea - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Alkyl halide - Carbonyl group - Organic oxygen compound - Organic oxide - 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

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