Compound Identification
SMILES
CN1C2=C(N(CC(=O)NC3=CC4=C(OCO4)C=C3)C(Cl)=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=LKQQBBZQBZNHCX-UHFFFAOYSA-N
Formula
C16H14ClN5O5
Mass
391.77
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 Benzodioxoles N-arylamides Pyrimidones Aryl chlorides Benzenoids N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Secondary carboxylic acid amides Lactams Azacyclic compounds Oxacyclic compounds Acetals Carbonyl compounds Organochlorides Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Benzodioxole - Alkaloid or derivatives - N-arylamide - Pyrimidone - Aryl chloride - Aryl halide - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Urea - Secondary carboxylic acid amide - Carboxamide group - Lactam - Oxacycle - Azacycle - Carboxylic acid derivative - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Carbonyl group - Organic oxide - Organic nitrogen compound - Organopnictogen compound - 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