Compound Identification
SMILES
NC1=NC(=O)C2=C(N1)N(COC(CO)COC1=CC=C(Cl)C=C1)C(Br)=N2
InChIKey
InChIKey=GLHOVIOCJZDUCA-UHFFFAOYSA-N
Formula
C15H15BrClN5O4
Mass
444.67
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
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Level 5
Purinones
- Level 6 Hypoxanthines
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Level 5
Purinones
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Subclass
Purines and purine derivatives
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Class
Imidazopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazopyrimidines
Subclass
Purines and purine derivatives
Intermediate Tree Nodes
Purinones
Direct Parent
Hypoxanthines
Alternative Parents
6-oxopurines Phenoxy compounds Phenol ethers Pyrimidones Alkyl aryl ethers Aminopyrimidines and derivatives Chlorobenzenes Aryl bromides Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Azacyclic compounds Hydrocarbon derivatives Organochlorides Primary amines Primary alcohols Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-oxopurine - Hypoxanthine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Pyrimidone - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - N-substituted imidazole - Heteroaromatic compound - Azole - Vinylogous amide - Imidazole - Ether - Azacycle - Amine - Organooxygen compound - Primary alcohol - Primary amine - Organic oxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organobromide - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
External Descriptors
Not available