Compound Identification
SMILES
COC1=NC(I)=NC2=C1N=CN2COCCO
InChIKey
InChIKey=DJEBOLCBNYGRJE-UHFFFAOYSA-N
Formula
C9H11IN4O3
Mass
350.116
Taxonomic Classification
Taxonomy Tree
-
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
- Level 6 Hypoxanthines
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Level 5
Purinones
-
Subclass
Purines and purine derivatives
-
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
Alkyl aryl ethers 2-halopyrimidines N-substituted imidazoles Aryl iodides Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organoiodides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hypoxanthine - Alkyl aryl ether - 2-halopyrimidine - Halopyrimidine - Aryl halide - Aryl iodide - Pyrimidine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Ether - Azacycle - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organoiodide - 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