Compound Identification
SMILES
CC(=O)NC1=CC=C(CC2=NC3=C(N2)C(=O)N(CC2=CC=CC=C2F)C(=O)N3C[C@@H]2C[C@@H]2C(O)=O)C=C1
InChIKey
InChIKey=SDHKGNDOYBQCIY-HKUYNNGSSA-N
Formula
C26H24FN5O5
Mass
505.506
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
Acetanilides 6-oxopurines Alkaloids and derivatives N-acetylarylamines Fluorobenzenes Pyrimidones Aryl fluorides Cyclopropanecarboxylic acids Imidazoles Heteroaromatic compounds Vinylogous amides Acetamides Lactams Secondary carboxylic acid amides Ureas Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Acetanilide - Purinone - N-acetylarylamine - Anilide - Alkaloid or derivatives - N-arylamide - Fluorobenzene - Halobenzene - Pyrimidone - Aryl halide - Cyclopropanecarboxylic acid or derivatives - Cyclopropanecarboxylic acid - Monocyclic benzene moiety - Pyrimidine - Aryl fluoride - Benzenoid - Imidazole - Heteroaromatic compound - Acetamide - Azole - Vinylogous amide - Lactam - Secondary carboxylic acid amide - Urea - Carboxamide group - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organic oxide - 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