Compound Identification
SMILES
CCOC(=O)C1=CC=C(C=C1)N1C(C)=CN2C1=NC1=C2C(=O)N(CCN2CCCCC2)C(=O)N1C
InChIKey
InChIKey=ZBFYTMDMNUGLJX-UHFFFAOYSA-N
Formula
C25H30N6O4
Mass
478.553
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
Phenylimidazoles 6-oxopurines Benzoic acid esters Alkaloids and derivatives Benzoyl derivatives Pyrimidones Piperidines N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Lactams Carboxylic acid esters Amino acids and derivatives Trialkylamines Ureas Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylimidazole - Xanthine - 6-oxopurine - Benzoate ester - Purinone - Benzoic acid or derivatives - Alkaloid or derivatives - Benzoyl - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Piperidine - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Amino acid or derivatives - Urea - Tertiary aliphatic amine - Tertiary amine - Lactam - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organonitrogen 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