Compound Identification
SMILES
CCN(CC)C1=NC2=C(N1CCCNCC(O)C1=CC(O)=C(O)C=C1)C(=O)N(C)C(=O)N2C
InChIKey
InChIKey=DVESNKWJVUEVML-UHFFFAOYSA-N
Formula
C22H32N6O5
Mass
460.535
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 Catechols Dialkylarylamines 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Pyrimidones Aralkylamines Aminoimidazoles Benzene and substituted derivatives N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas 1,2-aminoalcohols Secondary alcohols Lactams Dialkylamines Azacyclic compounds Aromatic alcohols Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Catechol - Dialkylarylamine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Pyrimidone - Phenol - Aralkylamine - Aminoimidazole - Pyrimidine - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - 1,2-aminoalcohol - Lactam - Urea - Secondary alcohol - Azacycle - Secondary aliphatic amine - Secondary amine - Organonitrogen compound - Aromatic alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Alcohol - Amine - 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