Compound Identification
SMILES
COC(=O)C1CC2=C(O1)C=CC(NC1=NC=C(F)C(NC3=CC=C(Cl)C=C3)=N1)=C2
InChIKey
InChIKey=RUHDDEVVVZTQKP-UHFFFAOYSA-N
Formula
C20H16ClFN4O3
Mass
414.82
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Coumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Coumarans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarans
Alternative Parents
Aniline and substituted anilines Alkyl aryl ethers Aminopyrimidines and derivatives Chlorobenzenes Halopyrimidines Aryl chlorides Aryl fluorides Imidolactams Methyl esters Heteroaromatic compounds Amino acids and derivatives Secondary amines Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Carbonyl compounds Organic oxides Organochlorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaran - Aniline or substituted anilines - Alkyl aryl ether - Chlorobenzene - Aminopyrimidine - Halobenzene - Halopyrimidine - Aryl chloride - Monocyclic benzene moiety - Imidolactam - Benzenoid - Aryl halide - Aryl fluoride - Pyrimidine - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Oxacycle - Ether - Secondary amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 2,3-dihydrofuran ring.
External Descriptors
Not available