Compound Identification
SMILES
CN1C2=C(C(=O)N(C)C1=O)[N+](CC1=C(F)C=CC=C1Cl)=C(N2)SCC1=CC=CC=N1
InChIKey
InChIKey=CPJZOLJMYKSBPF-UHFFFAOYSA-O
Formula
C20H18ClFN5O2S
Mass
446.9
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 Pyridines and derivatives Aryl chlorides Aryl fluorides N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Sulfenyl compounds Azacyclic compounds Organic oxides Organooxygen compounds Organochlorides Organofluorides Organonitrogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Aryl thioether - Chlorobenzene - Fluorobenzene - Halobenzene - Pyrimidone - Alkylarylthioether - N-substituted imidazole - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Pyridine - Pyrimidine - Aryl fluoride - Benzenoid - Imidazole - Azole - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Thioether - Azacycle - Sulfenyl compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic cation - 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