Compound Identification
SMILES
O=C1NC(=S)NC2=C1NC(=N2)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=XLXKJPYXVDMCLY-UHFFFAOYSA-N
Formula
C12H8N4O3S
Mass
288.28
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
6-oxopurines Benzodioxoles 2-Thiopyrimidines Pyrimidones Pyrimidinethiones Benzenoids Vinylogous amides Heteroaromatic compounds Imidazoles Thioureas Lactams Azacyclic compounds Acetals Oxacyclic compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thioxanthine - 6-oxopurine - Purinone - Benzodioxole - 2-thiopyrimidine - Pyrimidinethione - Pyrimidone - Thiopyrimidine - Benzenoid - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Imidazole - Azole - Thiourea - Lactam - Oxacycle - Azacycle - Acetal - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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