Compound Identification
SMILES
CNS(=O)(=O)NC1=NC=CC(CC2=C(C)C3=C(OC2=O)C=C(OC2=NC=CC=N2)C=C3)=C1F
InChIKey
InChIKey=LMMJFBMMJUMSJS-UHFFFAOYSA-N
Formula
C21H18FN5O5S
Mass
471.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
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
Diarylethers 1-benzopyrans Pyranones and derivatives Sulfuric acid diamides Pyrimidines and pyrimidine derivatives Pyridines and derivatives Aryl fluorides Benzenoids Imidolactams Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organofluorides Organonitrogen compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Diaryl ether - Benzopyran - 1-benzopyran - Pyranone - Aryl fluoride - Aryl halide - Sulfuric acid diamide - Imidolactam - Benzenoid - Pyrimidine - Pyridine - Pyran - Heteroaromatic compound - Organic sulfuric acid or derivatives - Lactone - Azacycle - Oxacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - 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
CHEBI:78825 : organofluorine compound - pyridines - sulfamides - coumarins - aryloxypyrimidine