Compound Identification
SMILES
CN1C2=C(N(CC3=CC=CC=C3)C(SCC3=C(F)C=CC=C3Cl)=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=OGGOKIXWIHZOMM-UHFFFAOYSA-N
Formula
C21H18ClFN4O2S
Mass
444.91
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
6-oxopurines Alkaloids and derivatives Pyrimidones Alkylarylthioethers Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Sulfenyl compounds Azacyclic compounds Organooxygen compounds Organochlorides Organofluorides Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Aryl thioether - Chlorobenzene - Fluorobenzene - Halobenzene - Pyrimidone - Alkylarylthioether - Benzenoid - Aryl fluoride - Pyrimidine - Aryl halide - Monocyclic benzene moiety - Aryl chloride - N-substituted imidazole - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Urea - Lactam - Sulfenyl compound - Thioether - Azacycle - Organic oxide - Organohalogen compound - Organochloride - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxygen 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