Compound Identification
SMILES
CN1C(=O)NC2=C(N=C(C)N2CCCOS(C)(=O)=O)C1=O
InChIKey
InChIKey=GMFZKHRNBMWSNL-UHFFFAOYSA-N
Formula
C11H16N4O5S
Mass
316.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Imidazopyrimidines
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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 Sulfonic acid esters Organosulfonic acid esters N-substituted imidazoles Vinylogous amides Sulfonyls Methanesulfonates Heteroaromatic compounds Ureas Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - N-substituted imidazole - Pyrimidine - Sulfonic acid ester - Organosulfonic acid ester - Heteroaromatic compound - Sulfonyl - Imidazole - Organosulfonic acid or derivatives - Azole - Organic sulfonic acid or derivatives - Vinylogous amide - Methanesulfonate - Urea - Lactam - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic oxygen 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