Compound Identification
SMILES
CN1C2=C(N3CC(=O)N(C3=N2)C2=CC(F)=C(C)C=C2)C(=O)N(C)C1=O
InChIKey
InChIKey=WMECXLAIQPXMKC-UHFFFAOYSA-N
Formula
C16H14FN5O3
Mass
343.318
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 Toluenes Fluorobenzenes Pyrimidones Aryl fluorides N-substituted imidazoles Heteroaromatic compounds Tertiary carboxylic acid amides Vinylogous amides Ureas Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Halobenzene - Fluorobenzene - Pyrimidone - Toluene - Aryl fluoride - Aryl halide - Pyrimidine - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Tertiary carboxylic acid amide - Azole - Imidazole - Vinylogous amide - Heteroaromatic compound - Carboxamide group - Urea - Lactam - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organofluoride - Organohalogen 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