Compound Identification
SMILES
CC#CCN1C(=NC2=C1C(=O)N(CC1=CC=CC=C1C#N)C(=O)N2C)N1CCC[C@@H](N)C1
InChIKey
InChIKey=ZOTODWFVYUPZFO-GOSISDBHSA-N
Formula
C23H25N7O2
Mass
431.5
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Imidazopyrimidines
-
Subclass
Purines and purine derivatives
- Level 5 Xanthines
-
Subclass
Purines and purine derivatives
-
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 Benzonitriles Dialkylarylamines Pyrimidones Aminopiperidines Aminoimidazoles N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Nitriles Azacyclic compounds Monoalkylamines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Benzonitrile - Dialkylarylamine - 3-aminopiperidine - Pyrimidone - Aminoimidazole - Monocyclic benzene moiety - N-substituted imidazole - Piperidine - Benzenoid - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Nitrile - Carbonitrile - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Primary aliphatic amine - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Primary amine - Cyanide - 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