Compound Identification
SMILES
COCCN1C=NC2=C1C(=O)N(CC(=O)N1CCOCC1)C(=O)N2CC1=CC=CC=C1
InChIKey
InChIKey=JXQMGEWICJEWOY-UHFFFAOYSA-N
Formula
C21H25N5O5
Mass
427.461
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 Pyrimidones Benzene and substituted derivatives N-substituted imidazoles Morpholines Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Ureas Lactams Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxides Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Morpholine - N-substituted imidazole - Oxazinane - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Imidazole - Heteroaromatic compound - Azole - Vinylogous amide - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Urea - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organic nitrogen 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