Compound Identification
SMILES
CSC1=NC2C(NC(=O)NC2=O)=N1
InChIKey
InChIKey=VPOBRNPGPHKBLK-UHFFFAOYSA-N
Formula
C6H6N4O2S
Mass
198.2
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
Purinones Alpha amino acids and derivatives Alkaloids and derivatives Pyrimidones N-acyl ureas Diazinanes Imidazoles Dicarboximides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Carboxamidines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Xanthine - Alpha-amino acid or derivatives - Purinone - Alkaloid or derivatives - N-acyl urea - Pyrimidone - Ureide - 1,3-diazinane - Pyrimidine - Dicarboximide - Imidazole - Carbonic acid derivative - Urea - Sulfenyl compound - Carboximidamide - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aliphatic 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