Compound Identification
SMILES
CCOP(=O)(COCCCN1C=NC2=C1N=C(N)N=C2OCCOC)OCC
InChIKey
InChIKey=MQOZZPIZKFWOME-UHFFFAOYSA-N
Formula
C16H28N5O6P
Mass
417.403
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Imidazopyrimidines
-
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
Dialkyl alkylphosphonates Aminopyrimidines and derivatives Alkyl aryl ethers Phosphonic acid esters N-substituted imidazoles Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Primary amines Organophosphorus compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hypoxanthine - Alkyl aryl ether - Aminopyrimidine - Dialkyl alkylphosphonate - Phosphonic acid diester - Pyrimidine - N-substituted imidazole - Phosphonic acid ester - Azole - Heteroaromatic compound - Imidazole - Organophosphonic acid derivative - Dialkyl ether - Ether - Azacycle - Primary amine - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxide - Organophosphorus compound - 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