Compound Identification
SMILES
NC1=NC(=O)C2=C(N1)N=C(N2)SCC=C
InChIKey
InChIKey=LLXBNLUBEUVPIR-UHFFFAOYSA-N
Formula
C8H9N5OS
Mass
223.25
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 Vinylogous amides Imidazoles Heteroaromatic compounds Allyl sulfur compounds Sulfenyl compounds Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-oxopurine - Hypoxanthine - Aryl thioether - Aminopyrimidine - Pyrimidone - Alkylarylthioether - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Allyl sulfur compound - Thioether - Sulfenyl compound - Azacycle - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - 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