Compound Identification
SMILES
CC(=O)NC1=CC=C(CC2=NC3=C(N2)C(=O)N(CC2=CC=CC=C2F)C(=O)N3CCCCO)C=C1
InChIKey
InChIKey=UAOGMHJQDHLDCC-UHFFFAOYSA-N
Formula
C25H26FN5O4
Mass
479.512
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 Acetanilides N-acetylarylamines Alkaloids and derivatives Pyrimidones Fluorobenzenes Aryl fluorides Vinylogous amides Acetamides Imidazoles Heteroaromatic compounds Ureas Secondary carboxylic acid amides Lactams Alkanolamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Acetanilide - Purinone - N-acetylarylamine - Alkaloid or derivatives - Anilide - N-arylamide - Halobenzene - Pyrimidone - Fluorobenzene - Aryl fluoride - Aryl halide - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Acetamide - Azole - Heteroaromatic compound - Imidazole - Urea - Carboxamide group - Secondary carboxylic acid amide - Lactam - Alkanolamine - Carboxylic acid derivative - Azacycle - Organooxygen compound - Primary alcohol - Alcohol - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen 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