Compound Identification
SMILES
CN1C2=C(N(CC(=O)NC3=C(C=C(C=C3)C(F)(F)F)[N+]([O-])=O)C=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=KDONYPJVXUHPLK-UHFFFAOYSA-N
Formula
C16H13F3N6O5
Mass
426.312
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 Trifluoromethylbenzenes Alkaloids and derivatives Anilides Nitrobenzenes N-arylamides Nitroaromatic compounds Pyrimidones N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Lactams Ureas Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic salts Organic zwitterions Organofluorides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Trifluoromethylbenzene - Purinone - Nitrobenzene - Alkaloid or derivatives - Anilide - Nitroaromatic compound - N-arylamide - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Vinylogous amide - Azole - Imidazole - Heteroaromatic compound - Organic nitro compound - Carboxamide group - Lactam - C-nitro compound - Secondary carboxylic acid amide - Urea - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic 1,3-dipolar compound - Organic oxide - Organic oxygen compound - Organohalogen compound - Alkyl fluoride - Organic salt - Organofluoride - Organonitrogen compound - Carbonyl group - Alkyl halide - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organic zwitterion - 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