Compound Identification
SMILES
CN1C2=C(N(CC(COCC3=CC=CC=C3F)OCC3=CC=CC=C3F)C=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=RXNAFWYJCCDEKN-UHFFFAOYSA-N
Formula
C24H24F2N4O4
Mass
470.477
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 Benzylethers Pyrimidones Fluorobenzenes Aryl fluorides N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Benzylether - Alkaloid or derivatives - Pyrimidone - Fluorobenzene - Halobenzene - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Aryl halide - Pyrimidine - Aryl fluoride - Vinylogous amide - Imidazole - Heteroaromatic compound - Azole - Urea - Lactam - Azacycle - Dialkyl ether - Ether - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen 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