Compound Identification
SMILES
ClC1=CC=C(OCC2=NN=C3SC(CC4=C5C(NN4)=NC(=S)NC5=S)=NN23)C=C1
InChIKey
InChIKey=XRSQDHGAKCVALI-UHFFFAOYSA-N
Formula
C16H11ClN8OS3
Mass
462.95
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 Phenol ethers Phenoxy compounds 2-Thiopyrimidines Alkyl aryl ethers Chlorobenzenes Pyrimidinethiones Aryl chlorides Triazoles Heteroaromatic compounds Thiolactams Pyrazoles Thiadiazoles Azacyclic compounds Organosulfur compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dithioxanthine - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Phenoxy compound - Phenol ether - Alkyl aryl ether - 2-thiopyrimidine - Thiopyrimidine - Halobenzene - Chlorobenzene - Pyrimidinethione - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Pyrazole - Thiadiazole - Thiolactam - 1,2,4-triazole - Azole - Heteroaromatic compound - Azacycle - Ether - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organochloride - Organohalogen 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