Compound Identification
SMILES
CCN1C2=C(NC(\C=C\C3=CC(F)=CC=C3)=N2)C(=O)N(CC)C1=O
InChIKey
InChIKey=XZUBFHMAJUWVAR-CMDGGOBGSA-N
Formula
C17H17FN4O2
Mass
328.347
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
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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
6-oxopurines Alkaloids and derivatives Styrenes Pyrimidones Fluorobenzenes Aryl fluorides Vinylogous amides Heteroaromatic compounds Imidazoles Ureas Lactams Azacyclic compounds Organic oxides Organofluorides Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Styrene - Fluorobenzene - Halobenzene - Pyrimidone - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Aryl fluoride - Benzenoid - Vinylogous amide - Imidazole - Heteroaromatic compound - Azole - Lactam - Urea - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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