Compound Identification
SMILES
CCN1C2=N[C@H](C)CN2C2=C(N(CC3=CC(Br)=C(O)C=C3)C(NC3CCCCC3)=N2)C1=O
InChIKey
InChIKey=CWXILJUHBVPVCM-CQSZACIVSA-N
Formula
C23H29BrN6O2
Mass
501.429
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
O-bromophenols 1-hydroxy-2-unsubstituted benzenoids Bromobenzenes Aminoimidazoles Aryl bromides N-substituted imidazoles Imidolactams Vinylogous amides Imidazolines Heteroaromatic compounds Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Carboximidamides Hydrocarbon derivatives Organic oxides Organobromides Organooxygen compounds Amines Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Purinone - 2-bromophenol - 2-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Halobenzene - Bromobenzene - Aminoimidazole - N-substituted imidazole - Aryl bromide - Aryl halide - Benzenoid - Imidolactam - Monocyclic benzene moiety - Azole - Imidazole - 2-imidazoline - Vinylogous amide - Heteroaromatic compound - Guanidine - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Azacycle - Organobromide - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - 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