Compound Identification
SMILES
OC[C@H](O)[C@H](O)[C@@H](O)C(=O)CO.CN1C=NC2=C1N(C)C(=O)N(C)C2=O
InChIKey
InChIKey=LBKBEXBYNHFFAG-ZDLCXPMKSA-N
Formula
C14H22N4O8
Mass
374.35
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Imidazopyrimidines
-
Subclass
Purines and purine derivatives
- Level 5 Xanthines
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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
Not available
Direct Parent
Xanthines
Alternative Parents
6-oxopurines Alkaloids and derivatives Pyrimidones Acyloins N-substituted imidazoles Monosaccharides Beta-hydroxy ketones Vinylogous amides Alpha-hydroxy ketones Heteroaromatic compounds Ureas Secondary alcohols Lactams Polyols Azacyclic compounds Organic oxides Organonitrogen compounds Primary alcohols Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Acyloin - N-substituted imidazole - Monosaccharide - Beta-hydroxy ketone - Pyrimidine - Alpha-hydroxy ketone - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Ketone - Lactam - Urea - Secondary alcohol - Azacycle - Polyol - Organic oxygen compound - Primary alcohol - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organooxygen compound - Organonitrogen 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