Compound Identification
SMILES
CCOC(=O)C1=C2C(=NC(=S)NC2=S)N(N1)C1=CC=CC=C1
InChIKey
InChIKey=FPKSCKJQRSHJLO-UHFFFAOYSA-N
Formula
C14H12N4O2S2
Mass
332.4
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
Phenylpyrazoles Pyrazolo[3,4-d]pyrimidines Pyrazole carboxylic acids and derivatives Pyrimidinethiones 2-Thiopyrimidines Benzene and substituted derivatives Thiolactams Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organosulfur compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dithioxanthine - Phenylpyrazole - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Pyrazole - Thiolactam - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen 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