Compound Identification
SMILES
Cl.CCCN1C2=C(NC(=N2)C2CCCCC2)C2=NC(CC3=CC=C(Br)C=C3)CN2C1=O
InChIKey
InChIKey=YZOUTCNDNRPHPF-UHFFFAOYSA-N
Formula
C23H29BrClN5O
Mass
506.87
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Imidazopyrimidines
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Subclass
Purines and purine derivatives
- Level 5 Purinones
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Subclass
Purines and purine derivatives
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Class
Imidazopyrimidines
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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
Pyrimidones Bromobenzenes Aryl bromides Imidolactams Heteroaromatic compounds Imidazoles Imidazolines Ureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxamidines Carboximidamides Carbonyl compounds Organopnictogen compounds Organobromides Hydrocarbon derivatives Hydrochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Purinone - Bromobenzene - Halobenzene - Pyrimidone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Azole - Imidazole - 2-imidazoline - Urea - Propargyl-type 1,3-dipolar organic compound - Azacycle - Amidine - Organic 1,3-dipolar compound - Carboxylic acid amidine - Carboximidamide - Organic oxide - Hydrochloride - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organopnictogen 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