Compound Identification
SMILES
CCP1(=O)O[C@H]2C[C@@H](O[C@@H]2O1)N1C2=C(N=C1SCCO)C(=O)N=C(N)N2
InChIKey
InChIKey=VMOWEBBVLYMGKI-NPTFNNSISA-N
Formula
C13H18N5O6PS
Mass
403.35
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 Alkylarylthioethers Pyrimidones Aminopyrimidines and derivatives Dialkyl alkylphosphonates N-substituted imidazoles Phosphonic acid esters Vinylogous amides Heteroaromatic compounds Dioxaphospholanes Oxolanes Oxacyclic compounds Azacyclic compounds Sulfenyl compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives Primary alcohols Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-oxopurine - Hypoxanthine - Aryl thioether - Aminopyrimidine - Dialkyl alkylphosphonate - Pyrimidone - Phosphonic acid diester - Alkylarylthioether - N-substituted imidazole - Phosphonic acid ester - Pyrimidine - Azole - 1,3_dioxaphospholane - Imidazole - Organophosphonic acid derivative - Oxolane - Heteroaromatic compound - Vinylogous amide - Sulfenyl compound - Thioether - Azacycle - Oxacycle - Alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic oxide - Primary alcohol - Primary amine - Organophosphorus compound - Organosulfur compound - Organic nitrogen 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