Compound Identification
SMILES
CN1C2=C(N(CC3=CC=CC=C3C#N)C(=N2)N2CCCC(N)C2)C(=O)N(CCC#N)C1=O
InChIKey
InChIKey=WIUKKUHCEQQQQL-UHFFFAOYSA-N
Formula
C22H24N8O2
Mass
432.488
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 Benzonitriles Dialkylarylamines Pyrimidones Aminopiperidines Aminoimidazoles N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Nitriles Azacyclic compounds Monoalkylamines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Benzonitrile - Dialkylarylamine - 3-aminopiperidine - Pyrimidone - Aminoimidazole - Monocyclic benzene moiety - N-substituted imidazole - Piperidine - Benzenoid - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Nitrile - Carbonitrile - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Primary aliphatic amine - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Primary amine - Cyanide - 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