Compound Identification
SMILES
FC(F)(F)C1=CC=CC(=C1)C1=CCN2C3=C(C=NN13)C(=O)N(C1=CC=C(Cl)C=C1)C2=O
InChIKey
InChIKey=VCPJALYRBSFORZ-UHFFFAOYSA-N
Formula
C21H12ClF3N4O2
Mass
444.8
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
Trifluoromethylbenzenes Alkaloids and derivatives Pyrazolo[3,4-d]pyrimidines Pyrimidones Chlorobenzenes Aryl chlorides Vinylogous amides Pyrazoles Heteroaromatic compounds Lactams Ureas Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Organofluorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - Trifluoromethylbenzene - Pyrazolopyrimidine - Pyrazolo[3,4-d]pyrimidine - Alkaloid or derivatives - Chlorobenzene - Halobenzene - Pyrimidone - Benzenoid - Aryl chloride - Pyrimidine - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Pyrazole - Azole - Urea - Lactam - Azacycle - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organofluoride - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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