Compound Identification
SMILES
CN1C2=NN(C=C2C(=O)N(C)C1=O)C1=CC=C(F)C=C1
InChIKey
InChIKey=DOLLNDLENAHPCP-UHFFFAOYSA-N
Formula
C13H11FN4O2
Mass
274.255
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
-
Class
Imidazopyrimidines
-
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
Phenylpyrazoles Alkaloids and derivatives Pyrazolo[3,4-d]pyrimidines Pyrimidones Fluorobenzenes Aryl fluorides Vinylogous amides Heteroaromatic compounds Lactams Ureas Azacyclic compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpyrazole - Xanthine - Pyrazolopyrimidine - Alkaloid or derivatives - Pyrazolo[3,4-d]pyrimidine - Pyrimidone - Fluorobenzene - Halobenzene - Aryl fluoride - Benzenoid - Aryl halide - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Azole - Pyrazole - Urea - Lactam - Azacycle - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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