Structure Information
Structure

Compound Identification

SMILES

CC(C)C1=CC2=C(OC(=O)C=C2CSC2=NN=C(CNC3=C(N(C)N=C3C)N3CCOCC3)N2C2=CC=CC=C2)C=C1

InChIKey

InChIKey=AFIWBRYLLLURMJ-UHFFFAOYSA-N

Formula

C31H35N7O3S

Mass

585.73

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Coumarins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumarin - Phenyltriazole - Phenyl-1,2,4-triazole - Benzopyran - 1-benzopyran - Cumene - Aryl thioether - Dialkylarylamine - Pyranone - Secondary aliphatic/aromatic amine - Aralkylamine - Alkylarylthioether - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyran - Benzenoid - 1,2,4-triazole - Triazole - Heteroaromatic compound - Pyrazole - Azole - Lactone - Thioether - Secondary amine - Organoheterocyclic compound - Azacycle - Oxacycle - Sulfenyl compound - Dialkyl ether - Ether - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).

External Descriptors

Not available

Previous Back Next