Compound Identification
SMILES
NC1=NC(=O)C2=C(N1)N(COCCO)C(SCC=C)=N2
InChIKey
InChIKey=PGZCCZPCURRLOT-UHFFFAOYSA-N
Formula
C11H15N5O3S
Mass
297.33
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
-
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
6-oxopurines Pyrimidones Aminopyrimidines and derivatives Alkylarylthioethers N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Allyl sulfur compounds Sulfenyl compounds Azacyclic compounds Primary amines Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-oxopurine - Hypoxanthine - Aryl thioether - Aminopyrimidine - Pyrimidone - Alkylarylthioether - N-substituted imidazole - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Allyl sulfur compound - Thioether - Sulfenyl compound - Azacycle - Amine - Hydrocarbon derivative - Primary amine - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxide - Organic nitrogen compound - Organic oxygen 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