Compound Identification
SMILES
CCCCN1C2=C(N(C=N2)S(=O)(=O)C2=C(C)C=CC(F)=C2)C(=O)N(CCCC)C1=O
InChIKey
InChIKey=NDHQOCJWZWFTCE-UHFFFAOYSA-N
Formula
C20H25FN4O4S
Mass
436.5
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 Benzenesulfonamides Alkaloids and derivatives Benzenesulfonyl compounds Toluenes Pyrimidones Fluorobenzenes Aryl fluorides N-substituted imidazoles Heteroaromatic compounds Organosulfonic acids and derivatives Sulfonyls Vinylogous amides Ureas Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Benzenesulfonamide - Purinone - Benzenesulfonyl group - Alkaloid or derivatives - Fluorobenzene - Halobenzene - Toluene - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Pyrimidine - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Urea - Lactam - Azacycle - Organohalogen compound - Organic oxide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - 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