Compound Identification
SMILES
CC#CCN1C(=NC2=C1C(=O)N(CC1=NC3=CC=CC=C3C=N1)C(=O)N2C)N1CCC[C@@H](N)C1
InChIKey
InChIKey=ILTRPILDWNCOMQ-QGZVFWFLSA-N
Formula
C24H26N8O2
Mass
458.526
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
Quinazolines 6-oxopurines Alkaloids and derivatives Dialkylarylamines Pyrimidones Aminopiperidines N-substituted imidazoles Aminoimidazoles Benzenoids Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - Diazanaphthalene - 6-oxopurine - Purinone - Quinazoline - Alkaloid or derivatives - Dialkylarylamine - 3-aminopiperidine - Pyrimidone - Aminoimidazole - N-substituted imidazole - Piperidine - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Urea - Lactam - Azacycle - Hydrocarbon derivative - Amine - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary amine - Organic oxide - Organic oxygen 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