Compound Identification
SMILES
CCCCN1C2=C(NC(CC3=CC=C(NS(=O)(=O)CCC4=CC=CC=C4)C=C3)=N2)C(=O)N(CC2=CC=CC=C2F)C1=O
InChIKey
InChIKey=DFTRPEGXKOJIIU-UHFFFAOYSA-N
Formula
C31H32FN5O4S
Mass
589.69
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
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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 Alkaloids and derivatives Pyrimidones Fluorobenzenes Aryl fluorides Organosulfonamides Organic sulfonamides Aminosulfonyl compounds Imidazoles Heteroaromatic compounds Vinylogous amides Lactams Ureas Azacyclic compounds Organic oxides Hydrocarbon derivatives Organofluorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Sulfanilide - Alkaloid or derivatives - Fluorobenzene - Halobenzene - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Azole - Organic sulfonic acid or derivatives - Heteroaromatic compound - Aminosulfonyl compound - Vinylogous amide - Sulfonyl - Organosulfonic acid or derivatives - Imidazole - Urea - Lactam - Azacycle - Organic oxygen compound - Organohalogen compound - Organofluoride - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur 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