Compound Identification
SMILES
NC1=C(SC2=NC3=C(C=NN3)C(=S)N12)C#N
InChIKey
InChIKey=KBTBWTVNRWMZGY-UHFFFAOYSA-N
Formula
C8H4N6S2
Mass
248.28
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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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 Aminothiazoles Thiolactams Pyrazoles Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Organosulfur compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dithioxanthine - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Pyrimidinethione - 1,3-thiazolamine - Pyrimidine - Azole - Heteroaromatic compound - Pyrazole - Thiolactam - Thiazole - Carbonitrile - Nitrile - Azacycle - Organonitrogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Cyanide - Organosulfur compound - Primary amine - 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