Compound Identification
SMILES
CCCCCCN1C(SCC(O)CCl)=NC2=C1C(=O)NC(=O)N2C
InChIKey
InChIKey=NUOATOPNZNQMRW-UHFFFAOYSA-N
Formula
C15H23ClN4O3S
Mass
374.88
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
-
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 Alkylarylthioethers Pyrimidones N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Lactams Chlorohydrins Ureas Secondary alcohols Azacyclic compounds Sulfenyl compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Aryl thioether - Pyrimidone - Alkylarylthioether - N-substituted imidazole - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Secondary alcohol - Urea - Chlorohydrin - Halohydrin - Lactam - Thioether - Sulfenyl compound - Azacycle - Alkyl halide - Organochloride - Organohalogen compound - Organic oxygen compound - Organonitrogen compound - Alcohol - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Alkyl chloride - 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