Compound Identification
SMILES
CN1C2=C(N(CC3=C(F)C=CC=C3Cl)C(=N2)C2=CC(Cl)=CC(Cl)=C2)C(=O)N(C)C1=O
InChIKey
InChIKey=RZQJDDNJYBCTDI-UHFFFAOYSA-N
Formula
C20H14Cl3FN4O2
Mass
467.71
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
Phenylimidazoles 6-oxopurines Alkaloids and derivatives Dichlorobenzenes Pyrimidones Fluorobenzenes Aryl chlorides Aryl fluorides N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Lactams Ureas Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylimidazole - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - 1,3-dichlorobenzene - Chlorobenzene - Fluorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Vinylogous amide - Heteroaromatic compound - Imidazole - Urea - Lactam - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organofluoride - Organohalogen compound - Organochloride - Organic nitrogen 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