Compound Identification
SMILES
ClC1=CC(C=C(NC(=O)C2=CC=CC=C2)C2=NC3=C(N2)C(=O)NC(=S)N3)=C(Cl)C=C1
InChIKey
InChIKey=DLDRQYXWWLRNGZ-UHFFFAOYSA-N
Formula
C20H13Cl2N5O2S
Mass
458.32
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
6-oxopurines Benzamides Benzoyl derivatives Dichlorobenzenes 2-Thiopyrimidines Pyrimidones Pyrimidinethiones Aryl chlorides Imidazoles Heteroaromatic compounds Vinylogous amides Lactams Secondary carboxylic acid amides Thioureas Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thioxanthine - 6-oxopurine - Benzamide - Benzoic acid or derivatives - 1,4-dichlorobenzene - Benzoyl - 2-thiopyrimidine - Halobenzene - Thiopyrimidine - Chlorobenzene - Pyrimidinethione - Pyrimidone - Aryl chloride - Aryl halide - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Imidazole - Vinylogous amide - Azole - Heteroaromatic compound - Thiourea - Secondary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - 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