Compound Identification
SMILES
CCCN1c2[nH]c(nc2C(=O)N(CCC)C1=O)-c1cc(NC(=O)[C@@H](C)c2ccccc2)nn1C
InChIKey
InChIKey=KRUNMPJEYMUFHP-HNNXBMFYSA-N
Formula
C24H29N7O3
Mass
463.542
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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 Phenylacetamides Alkaloids and derivatives N-arylamides Pyrimidones Imidolactams Vinylogous amides Heteroaromatic compounds Imidazoles Pyrazoles Ureas Secondary carboxylic acid amides Lactams Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Phenylacetamide - Alkaloid or derivatives - N-arylamide - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Azole - Imidazole - Pyrazole - Heteroaromatic compound - Vinylogous amide - Lactam - Carboxamide group - Secondary carboxylic acid amide - Urea - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - 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