Compound Identification
SMILES
CN1C(SC2=CC=C(Cl)C=C2)=NC2=C1C(=O)N(CC1=CC=C(Cl)C=C1)C(=O)N2C
InChIKey
InChIKey=KLWOTNHEPSAJFL-UHFFFAOYSA-N
Formula
C20H16Cl2N4O2S
Mass
447.33
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 Xanthines
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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
Xanthines
Alternative Parents
Diarylthioethers 6-oxopurines Alkaloids and derivatives Thiophenol ethers Chlorobenzenes Pyrimidones Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Ureas Lactams Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - Diarylthioether - 6-oxopurine - Purinone - Alkaloid or derivatives - Aryl thioether - Thiophenol ether - Chlorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Heteroaromatic compound - Azole - Vinylogous amide - Imidazole - Urea - Lactam - Sulfenyl compound - Thioether - Azacycle - Organochloride - Organohalogen compound - Organosulfur compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
External Descriptors
Not available