Compound Identification
SMILES
OC(=O)C(F)(F)F.CCCCCN1C2=NN=C(N2C(=O)C2=C1N=C(Br)N2)C1=NC=CN1C
InChIKey
InChIKey=ADQBPMFYKYOHBI-UHFFFAOYSA-N
Formula
C17H18BrF3N8O3
Mass
519.283
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
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Level 5
Purinones
- Level 6 Hypoxanthines
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Level 5
Purinones
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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
Purinones
Direct Parent
Hypoxanthines
Alternative Parents
6-oxopurines Triazolopyrimidines Pyrimidones Aryl bromides N-substituted imidazoles Vinylogous amides Triazoles Alpha-halocarboxylic acids Heteroaromatic compounds Lactams Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Organofluorides Alkyl fluorides Organonitrogen compounds
Molecular Framework
Not available
Substituents
6-oxopurine - Hypoxanthine - Triazolopyrimidine - Pyrimidone - Aryl bromide - Aryl halide - N-substituted imidazole - Pyrimidine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Triazole - 1,2,4-triazole - Lactam - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Alkyl fluoride - Carbonyl group - Alkyl halide - Organobromide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organohalogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
External Descriptors
Not available