Compound Identification
SMILES
NC1=NC=NC2=C1N=CN2CCOC1=CC(=O)OC2=CC=CC=C12
InChIKey
InChIKey=LBPWMWOIUUTYKS-UHFFFAOYSA-N
Formula
C16H13N5O3
Mass
323.312
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
1-benzopyrans 6-aminopurines Pyranones and derivatives Alkyl aryl ethers Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Benzenoids Vinylogous esters Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - 6-aminopurine - 1-benzopyran - Benzopyran - Imidazopyrimidine - Purine - Alkyl aryl ether - Aminopyrimidine - Pyranone - Imidolactam - Benzenoid - Pyrimidine - Pyran - N-substituted imidazole - Azole - Vinylogous ester - Imidazole - Heteroaromatic compound - Lactone - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen 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
Not available