Compound Identification
SMILES
COC(=O)CCCCSC1=NC(=O)NC2=C1NC(=O)N2
InChIKey
InChIKey=CSBILALCAJUMEB-UHFFFAOYSA-N
Formula
C11H14N4O4S
Mass
298.32
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Imidazopyrimidines
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Subclass
Purines and purine derivatives
- 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
Not available
Direct Parent
Purinones
Alternative Parents
6-thiopurines Pyrimidones Fatty acid methyl esters Alkylarylthioethers Methyl esters Imidazoles Heteroaromatic compounds Ureas Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Purinone - 6-thiopurine - Aryl thioether - Fatty acid ester - Alkylarylthioether - Fatty acid methyl ester - Pyrimidone - Fatty acyl - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Urea - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Sulfenyl compound - Thioether - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as purinones. These are purines in which the purine moiety bears a C=O group. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
External Descriptors
Not available