Compound Identification
SMILES
CCCCN1C2=C(NC(CC3=CC=C(NS(=O)(=O)C4=CC=CC=C4F)C=C3)=N2)C(=O)N(CC2=CC=CC=C2F)C1=O
InChIKey
InChIKey=KLSCTCBMKDQXJO-UHFFFAOYSA-N
Formula
C29H27F2N5O4S
Mass
579.62
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Imidazopyrimidines
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Subclass
Purines and purine derivatives
- Level 5 Xanthines
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Subclass
Purines and purine derivatives
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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 Sulfanilides Benzenesulfonamides Alkaloids and derivatives Benzenesulfonyl compounds Pyrimidones Fluorobenzenes Organosulfonamides Aryl fluorides Vinylogous amides Aminosulfonyl compounds Heteroaromatic compounds Imidazoles Ureas Lactams Azacyclic compounds Organic oxides Organofluorides Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Benzenesulfonamide - Purinone - Sulfanilide - Benzenesulfonyl group - Alkaloid or derivatives - Fluorobenzene - Halobenzene - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Vinylogous amide - Aminosulfonyl compound - Sulfonyl - Heteroaromatic compound - Azole - Organosulfonic acid or derivatives - Imidazole - Urea - Lactam - Azacycle - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Organohalogen compound - Organofluoride - 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