Compound Identification
SMILES
CN1C2=C(N(CC3=CC=C(F)C=C3)C(NNC=C3C=C(Br)C=CC3=O)=N2)C(=O)NC1=O
InChIKey
InChIKey=UQQCHRFOCWARRN-UHFFFAOYSA-N
Formula
C20H16BrFN6O3
Mass
487.289
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 O-quinomethanes Pyrimidones Fluorobenzenes Aryl fluorides N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Vinyl bromides Azacyclic compounds Bromoalkenes Organobromides Organofluorides Organic oxides Hydrocarbon derivatives Hydrazines and derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - O-quinomethane - Quinomethane - Fluorobenzene - Halobenzene - Pyrimidone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Urea - Cyclic ketone - Ketone - Lactam - Vinyl bromide - Vinyl halide - Azacycle - Haloalkene - Bromoalkene - Organic oxide - Organohalogen compound - Organic oxygen compound - Hydrazine derivative - Organobromide - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen 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