Compound Identification
SMILES
CCN1C2=NCCN2C2=C(N(CC3=CC(Br)=C(OC)C=C3)C(NC3CCCCC3)=N2)C1=O
InChIKey
InChIKey=JHPCUGCLICUIEO-UHFFFAOYSA-N
Formula
C23H29BrN6O2
Mass
501.429
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
Methoxybenzenes Phenoxy compounds Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Imidolactams N-substituted imidazoles Aminoimidazoles Imidazolines Heteroaromatic compounds Vinylogous amides Guanidines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organobromides Amines Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Purinone - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aminoimidazole - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Imidolactam - N-substituted imidazole - Benzenoid - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - 2-imidazoline - Guanidine - Carboximidamide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Ether - Organohalogen compound - Organic oxygen compound - Organopnictogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organonitrogen compound - Organooxygen 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