Compound Identification
SMILES
CC(C)(C)OC(=O)N1CC[C@H](C1)N1C(=O)NC2=CN=C(N=C12)C1=C2C=C(C=CN2N=C1)C#N
InChIKey
InChIKey=DCRWPCZFLDSDNQ-CQSZACIVSA-N
Formula
C22H22N8O3
Mass
446.471
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Imidazopyrimidines
-
Subclass
Purines and purine derivatives
- Level 5 Purinones
-
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
Purinones
Alternative Parents
Pyrazolopyridines Pyrrolidine carboxylic acids Pyrimidines and pyrimidine derivatives Pyridines and derivatives N-substituted imidazoles Pyrazoles Heteroaromatic compounds Carbamate esters Ureas Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Purinone - Pyrazolopyridine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - N-substituted imidazole - Pyrimidine - Pyridine - Azole - Imidazole - Pyrazole - Heteroaromatic compound - Carbamic acid ester - Pyrrolidine - Urea - Carbonitrile - Nitrile - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as purinones. These are purines in which the purine moiety bears a C=O group. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
External Descriptors
Not available