Compound Identification
SMILES
CCCN1C2=C(NC(NC(=O)C3=CC=C(C=C3)S(F)(=O)=O)=N2)C(=O)N(CCC)C1=O
InChIKey
InChIKey=MJXSWDVTVSUXNH-UHFFFAOYSA-N
Formula
C18H20FN5O5S
Mass
437.45
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 Alkaloids and derivatives Benzamides Benzenesulfonyl compounds Benzoyl derivatives Pyrimidones Vinylogous amides Sulfonyls Sulfonyl fluorides Organosulfonic acids and derivatives Heteroaromatic compounds Imidazoles Ureas Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Benzamide - Benzenesulfonyl group - Benzoic acid or derivatives - Alkaloid or derivatives - Benzoyl - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Sulfonyl - Sulfonyl halide - Sulfonyl fluoride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Imidazole - Vinylogous amide - Heteroaromatic compound - Azole - Urea - Carboxamide group - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur 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