Compound Identification
SMILES
CN1C2=C(NC(SC(C(C)=O)C(C)=O)=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=MZWQNNPRAFUZDA-UHFFFAOYSA-N
Formula
C12H14N4O4S
Mass
310.33
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
6-oxopurines Alkaloids and derivatives Alkylarylthioethers Beta-diketones Pyrimidones Imidazoles Heteroaromatic compounds Vinylogous amides Lactams Ketones Ureas Azacyclic compounds Sulfenyl compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Aryl thioether - 1,3-diketone - Alkylarylthioether - Pyrimidone - Pyrimidine - 1,3-dicarbonyl compound - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Ketone - Lactam - Urea - Azacycle - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - 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