Compound Identification
SMILES
CCCN1C2=N\C(N=C2C(=O)N(CCC)C1=O)=C1\C=C(NC(=O)CC2=CC(F)=CC=C2)NN1C
InChIKey
InChIKey=YOYCBGJUDWWDHS-SILNSSARSA-N
Formula
C23H26FN7O3
Mass
467.505
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
Purinones Phenylacetamides Alkaloids and derivatives Fluorobenzenes Pyrimidones Aryl fluorides Imidolactams Vinylogous amides Heteroaromatic compounds Pyrazolines Ketene acetals Ureas Secondary carboxylic acid amides Lactams Alkylhydrazines Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - Purinone - Phenylacetamide - Alkaloid or derivatives - Fluorobenzene - Halobenzene - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Vinylogous amide - Pyrazoline - Heteroaromatic compound - Urea - Secondary carboxylic acid amide - Carboxamide group - Ketene acetal or derivatives - Lactam - Azacycle - Alkylhydrazine - Carboxylic acid derivative - Organooxygen compound - Hydrazine derivative - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organonitrogen 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