Compound Identification
SMILES
ClC1=CC=C(CNC2=NC(=O)C3=C(N2)N=CN3)C=C1
InChIKey
InChIKey=CYIICQJYPMRJFT-UHFFFAOYSA-N
Formula
C12H10ClN5O
Mass
275.7
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 Benzylamines Secondary alkylarylamines Pyrimidones Aminopyrimidines and derivatives Chlorobenzenes Aryl chlorides Vinylogous amides Heteroaromatic compounds Imidazoles Azacyclic compounds Organic oxides Organochlorides Organopnictogen compounds Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-oxopurine - Hypoxanthine - Benzylamine - Aminopyrimidine - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Secondary amine - Azacycle - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - 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