Compound Identification
SMILES
CC#CCN1C(=NC2=C1C(=O)N(CC(=O)NC1=CN=CC=C1)C(=O)N2C)N1CCC[C@@H](N)C1
InChIKey
InChIKey=XRFZJHMDBXXHGI-OAHLLOKOSA-N
Formula
C22H26N8O3
Mass
450.503
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 Alkaloids and derivatives N-arylamides Dialkylarylamines Pyrimidones Aminopiperidines Pyridines and derivatives Aminoimidazoles N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Secondary carboxylic acid amides Amino acids and derivatives Lactams Azacyclic compounds Monoalkylamines Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Dialkylarylamine - N-arylamide - 3-aminopiperidine - Pyrimidone - Aminoimidazole - Pyridine - Pyrimidine - N-substituted imidazole - Piperidine - Vinylogous amide - Imidazole - Heteroaromatic compound - Azole - Amino acid or derivatives - Carboxamide group - Lactam - Urea - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Primary aliphatic amine - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Primary 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