Structure Information
Structure

Compound Identification

SMILES

CSC1=NC2=NC3=C(C(OC4=C3C=C(Cl)C=C4)C3=CC(Br)=CC=C3)C(N2N1)C1=CC=CC=C1F

InChIKey

InChIKey=ACUOJUPJYRJRSK-UHFFFAOYSA-N

Formula

C25H17BrClFN4OS

Mass

555.85

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Flavonoids

Subclass

Flav-3-enes

Intermediate Tree Nodes

Not available

Direct Parent

Flav-3-enes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Flav-3-ene - Benzopyran - 1-benzopyran - Alkyl aryl ether - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydropyrimidine - 1,6-dihydropyrimidine - Triazoline - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Imine - Organohalogen compound - Organobromide - Organochloride - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as flav-3-enes. These are flavonoids with a structure based on the 2-phenylchromene skeleton, with a double bond between the C3 and C4 carbon atoms of the chromene moiety.

External Descriptors

Not available

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