Compound Identification
SMILES
S=C1NC(=S)C2=C(NNC2=N1)C#N
InChIKey
InChIKey=KTUIKKFPHKAFEE-UHFFFAOYSA-N
Formula
C6H3N5S2
Mass
209.25
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Imidazopyrimidines
-
Subclass
Purines and purine derivatives
- Level 5 Dithioxanthines
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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
Dithioxanthines
Alternative Parents
Pyrazolo[3,4-d]pyrimidines Pyrimidinethiones 2-Thiopyrimidines Thiolactams Pyrazoles Heteroaromatic compounds Nitriles Azacyclic compounds Organosulfur compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dithioxanthine - Pyrazolopyrimidine - Pyrazolo[3,4-d]pyrimidine - 2-thiopyrimidine - Pyrimidinethione - Thiopyrimidine - Pyrimidine - Heteroaromatic compound - Thiolactam - Azole - Pyrazole - Azacycle - Nitrile - Carbonitrile - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Cyanide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dithioxanthines. These are compounds containing a dithioxanthine moiety, a xanthine derivative obtained by replacing the two ketone groups by two thioketone groups.
External Descriptors
Not available