Compound Identification
SMILES
CC#CCN1C(=NC2=C1C(=O)N(CC1=CC=CC=C1C(O)=O)C(=O)N2C)N1CCC[C@@H](N)C1
InChIKey
InChIKey=LECYHDYRKLUMSL-MRXNPFEDSA-N
Formula
C23H26N6O4
Mass
450.499
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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 Benzoic acids Dialkylarylamines Benzoyl derivatives Pyrimidones Aminopiperidines N-substituted imidazoles Aminoimidazoles Vinylogous amides Heteroaromatic compounds Ureas Amino acids Lactams Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Monoalkylamines Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Benzoic acid or derivatives - Benzoic acid - Alkaloid or derivatives - Benzoyl - Dialkylarylamine - 3-aminopiperidine - Pyrimidone - Aminoimidazole - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Piperidine - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Urea - Amino acid - Lactam - Amino acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Primary amine - Amine - Hydrocarbon derivative - Primary aliphatic amine - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - 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