Compound Identification
SMILES
O=C1NC2C(NC(=O)NC2=O)N1S(=O)(=O)C1=CC=CC2=C1N=CC=C2
InChIKey
InChIKey=VCJZEMXIMAZRBF-UHFFFAOYSA-N
Formula
C14H11N5O5S
Mass
361.33
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
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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
Quinolines and derivatives Alpha amino acids and derivatives Purinones Alkaloids and derivatives Sulfonylureas Pyrimidones N-acyl ureas Pyridines and derivatives Benzenoids Diazinanes Imidazolidinones Heteroaromatic compounds Dicarboximides Sulfonyls Organosulfonic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - Alpha-amino acid or derivatives - Purinone - Quinoline - Alkaloid or derivatives - N-acyl urea - Pyrimidone - Sulfonylurea - Ureide - Benzenoid - 1,3-diazinane - Imidazolidinone - Pyridine - Pyrimidine - Heteroaromatic compound - Dicarboximide - Imidazolidine - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carbonic acid derivative - Urea - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen 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