Compound Identification
SMILES
CN1C2=C(N(CC(O)CCl)C=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=XGBUEEIOXSVEQL-UHFFFAOYSA-N
Formula
C10H13ClN4O3
Mass
272.69
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Imidazopyrimidines
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Subclass
Purines and purine derivatives
- Level 5 Xanthines
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Subclass
Purines and purine derivatives
-
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 Pyrimidones N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Secondary alcohols Chlorohydrins Lactams Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Alkyl chlorides Organonitrogen compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - N-substituted imidazole - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Chlorohydrin - Halohydrin - Lactam - Urea - Secondary alcohol - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Alkyl chloride - Alcohol - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Alkyl halide - 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