Compound Identification
SMILES
CN1C2=C(NC(NNC3=C4C=C(F)C=CC4=NC3=O)=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=DWLAVGQZAOUQRD-UHFFFAOYSA-N
Formula
C15H12FN7O3
Mass
357.305
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
-
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 Alpha amino acids and derivatives Alkaloids and derivatives Indoles and derivatives Pyrimidones Aryl fluorides Benzenoids Vinylogous amides Imidazoles Heteroaromatic compounds Ureas N-acylimines Lactams Azacyclic compounds Organofluorides Hydrazines and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Alpha-amino acid or derivatives - Purinone - Indole or derivatives - Alkaloid or derivatives - Pyrimidone - Aryl fluoride - Aryl halide - Pyrimidine - Benzenoid - Heteroaromatic compound - Imidazole - Azole - Vinylogous amide - Urea - N-acylimine - Lactam - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Hydrazine derivative - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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