Compound Identification
SMILES
S=C1NC(=S)C2=C(CC3=NN4C(CC5=CC=CC=C5)=NN=C4S3)NNC2=N1
InChIKey
InChIKey=JRXHBWDCJDGWTA-UHFFFAOYSA-N
Formula
C16H12N8S3
Mass
412.51
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 2-Thiopyrimidines Benzene and substituted derivatives Triazoles Thiolactams Thiadiazoles Pyrazoles Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dithioxanthine - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - 1,2,4-triazole - Thiadiazole - Thiolactam - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organosulfur 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