Compound Identification
SMILES
O=C1NC=NC2C1SC1=NC3=C(C=NN3)C(=S)N21
InChIKey
InChIKey=XTSGBHKTERDLIN-UHFFFAOYSA-N
Formula
C9H6N6OS2
Mass
278.31
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Imidazopyrimidines
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Subclass
Purines and purine derivatives
- Level 5 Dithioxanthines
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Subclass
Purines and purine derivatives
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Class
Imidazopyrimidines
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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 Alkylarylthioethers Hydropyrimidines Thiolactams Pyrazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Carboximidamides Carboxamidines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dithioxanthine - Pyrazolopyrimidine - Pyrazolo[3,4-d]pyrimidine - Aryl thioether - Pyrimidinethione - Alkylarylthioether - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyrimidine - Thiolactam - Heteroaromatic compound - Azole - Pyrazole - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Thioether - Azacycle - Carboxylic acid amidine - Carboxylic acid derivative - Amidine - Organic oxide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - 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