Compound Identification
SMILES
CC1=CN=C(CN2C(=O)N(CCNCCN3C=CC=C3)C3=C2N=C(N)N=C3Cl)C(C)=C1Br
InChIKey
InChIKey=UZUPGTMLQVDCRG-UHFFFAOYSA-N
Formula
C21H24BrClN8O
Mass
519.83
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
Aminopyrimidines and derivatives Halopyrimidines Methylpyridines Substituted pyrroles Aryl bromides Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Ureas Azacyclic compounds Dialkylamines Organobromides Organooxygen compounds Primary amines Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Purinone - Aminopyrimidine - Methylpyridine - Halopyrimidine - Aryl bromide - Aryl chloride - Aryl halide - Substituted pyrrole - Pyrimidine - Pyridine - N-substituted imidazole - Heteroaromatic compound - Azole - Pyrrole - Imidazole - Urea - Azacycle - Secondary aliphatic amine - Secondary amine - Organohalogen compound - Organooxygen compound - Primary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organochloride - Organonitrogen 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