Compound Identification
SMILES
OC(=O)C(F)(F)F.CCCCN1C2=C(NC(CC3=CC=C(NS(=O)(=O)C4=CN(C)C=N4)C=C3)=N2)C(=O)N(CC2=CC=CC=C2F)C1=O
InChIKey
InChIKey=DUHDAVNHODCMFO-UHFFFAOYSA-N
Formula
C29H29F4N7O6S
Mass
679.65
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
Sulfanilides 6-oxopurines Alkaloids and derivatives Fluorobenzenes Pyrimidones Aryl fluorides N-substituted imidazoles Organosulfonamides Aminosulfonyl compounds Heteroaromatic compounds Vinylogous amides Alpha-halocarboxylic acids Lactams Ureas Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Alkyl fluorides Organofluorides Organonitrogen compounds
Molecular Framework
Not available
Substituents
Xanthine - 6-oxopurine - Purinone - Sulfanilide - Alkaloid or derivatives - Halobenzene - Fluorobenzene - Pyrimidone - N-substituted imidazole - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Organosulfonic acid amide - Alpha-halocarboxylic acid - Imidazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Azole - Vinylogous amide - Heteroaromatic compound - Alpha-halocarboxylic acid or derivatives - Urea - Lactam - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl halide - Alkyl fluoride - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen 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