Compound Identification
SMILES
CN1C=NC=C1C1=C2C(=NN1CC1=C3C=C(Cl)C=CC3=NC=C1)N(CC1CC1)C(=O)N(C)C2=S
InChIKey
InChIKey=FOSBPPDZQFIBKJ-UHFFFAOYSA-N
Formula
C24H22ClN7OS
Mass
492.0
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 Thioxanthines
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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
Thioxanthines
Alternative Parents
Chloroquinolines Pyrazolo[3,4-d]pyrimidines Pyrimidones Pyrimidinethiones Aryl chlorides Benzenoids Pyridines and derivatives N-substituted imidazoles Thiolactams Pyrazoles Heteroaromatic compounds Ureas Azacyclic compounds Organic oxides Organosulfur compounds Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Haloquinoline - Thioxanthine - Chloroquinoline - Quinoline - Pyrazolopyrimidine - Pyrazolo[3,4-d]pyrimidine - Pyrimidinethione - Pyrimidone - Aryl halide - N-substituted imidazole - Pyridine - Pyrimidine - Aryl chloride - Benzenoid - Imidazole - Azole - Heteroaromatic compound - Pyrazole - Thiolactam - Urea - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organosulfur compound - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thioxanthines. These are organic polycyclic compounds containing a thioxanthine moiety, which is an aromatic bicyclic structure derived from xanthine by replacing a carbonyl group with a thiocarbonyl group.
External Descriptors
Not available