Compound Identification
SMILES
CCN1C2=C(N=C(Br)N2C2OCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)C(=O)N(CC)C1=O
InChIKey
InChIKey=LGUFFMGJCJLKHP-UHFFFAOYSA-N
Formula
C20H25BrN4O9
Mass
545.343
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
Glycosylamines 6-oxopurines Tricarboxylic acids and derivatives Alkaloids and derivatives Pyrimidones Oxanes N-substituted imidazoles Aryl bromides Vinylogous amides Heteroaromatic compounds Ureas Lactams Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - N-glycosyl compound - Glycosyl compound - Purinone - 6-oxopurine - Alkaloid or derivatives - Tricarboxylic acid or derivatives - Pyrimidone - Pyrimidine - Oxane - N-substituted imidazole - Aryl halide - Aryl bromide - Heteroaromatic compound - Vinylogous amide - Imidazole - Azole - Urea - Lactam - Carboxylic acid ester - Oxacycle - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Carbonyl group - 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