Compound Identification
SMILES
O=C1NC(=S)C2=CNNC2=N1
InChIKey
InChIKey=KDAAPQIIYTZQEZ-UHFFFAOYSA-N
Formula
C5H4N4OS
Mass
168.17
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Imidazopyrimidines
-
Subclass
Purines and purine derivatives
- Level 5 Thioxanthines
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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
Thioxanthines
Alternative Parents
Pyrazolo[3,4-d]pyrimidines Pyrimidones Pyrimidinethiones Thiolactams Pyrazoles Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thioxanthine - Pyrazolopyrimidine - Pyrazolo[3,4-d]pyrimidine - Pyrimidinethione - Pyrimidone - Pyrimidine - Azole - Pyrazole - Thiolactam - Heteroaromatic compound - Azacycle - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thioxanthines. These are organic polycyclic compounds containing a thioxanthine moiety, which is an aromatic bicyclic structure derived from xanthine by replacing a carbonyl group with a thiocarbonyl group.
External Descriptors
Not available