Compound Identification
SMILES
COC1=NC=CC(CNC(=O)C2=NC3=C(N2)C(=O)N(CC2=CC(F)=C(F)C=C2)C(=O)N3C)=C1
InChIKey
InChIKey=IWPOZNLFHSGOOQ-UHFFFAOYSA-N
Formula
C21H18F2N6O4
Mass
456.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Imidazopyrimidines
-
Subclass
Purines and purine derivatives
- Level 5 Xanthines
-
Subclass
Purines and purine derivatives
-
Class
Imidazopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazopyrimidines
Subclass
Purines and purine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Xanthines
Alternative Parents
6-oxopurines Alkaloids and derivatives 2-heteroaryl carboxamides Pyrimidones Alkyl aryl ethers Fluorobenzenes Pyridines and derivatives Aryl fluorides Vinylogous amides Heteroaromatic compounds Imidazoles Ureas Secondary carboxylic acid amides Lactams Azacyclic compounds Organic oxides Organofluorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - 2-heteroaryl carboxamide - Alkyl aryl ether - Halobenzene - Fluorobenzene - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyridine - Pyrimidine - Imidazole - Heteroaromatic compound - Azole - Vinylogous amide - Carboxamide group - Lactam - Urea - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Ether - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
External Descriptors
Not available