Compound Identification
SMILES
CN1C(SCC(=O)NC2=C(F)C=C(Br)C=C2)=NC2=C1NC=NC2=O
InChIKey
InChIKey=ONULIJKIOVFEGR-UHFFFAOYSA-N
Formula
C14H11BrFN5O2S
Mass
412.24
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
-
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 Anilides N-arylamides Pyrimidones Alkylarylthioethers Fluorobenzenes Bromobenzenes N-substituted imidazoles Aryl bromides Aryl fluorides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-oxopurine - Hypoxanthine - Anilide - Aryl thioether - N-arylamide - Halobenzene - Pyrimidone - Fluorobenzene - Bromobenzene - Alkylarylthioether - N-substituted imidazole - Aryl bromide - Aryl fluoride - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Azole - Imidazole - Vinylogous amide - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Thioether - Sulfenyl compound - Azacycle - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - 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