Compound Identification
SMILES
CCN1C2=C(N(CC3=C(F)C=CC=C3Cl)C(=N2)N2CCCCC2)C(=O)N(C)C1=O
InChIKey
InChIKey=KWVDDSICLXLUCE-UHFFFAOYSA-N
Formula
C20H23ClFN5O2
Mass
419.89
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 Dialkylarylamines Pyrimidones Fluorobenzenes Chlorobenzenes Piperidines Aminoimidazoles Aryl chlorides N-substituted imidazoles Aryl fluorides Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Dialkylarylamine - Halobenzene - Pyrimidone - Fluorobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Pyrimidine - Aryl chloride - Piperidine - Aminoimidazole - N-substituted imidazole - Heteroaromatic compound - Azole - Vinylogous amide - Imidazole - Lactam - Urea - Azacycle - Organooxygen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organochloride - 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