Compound Identification
SMILES
[Na+].CCCCCSCC1(CC)C(=O)NC([O-])=NC1=O
InChIKey
InChIKey=NBNFQBJIXDLPHC-UHFFFAOYSA-M
Formula
C12H19N2NaO3S
Mass
294.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Level 5
Pyrimidones
- Level 6 Barbituric acid derivatives
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Level 5
Pyrimidones
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Pyrimidones
Direct Parent
Barbituric acid derivatives
Alternative Parents
Hydropyrimidines N-acylimines Isoureas Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Carboxylic acids and derivatives Carboximidamides Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
Barbiturate - 1,4,5,6-tetrahydropyrimidine - Hydropyrimidine - N-acylimine - Isourea - Azacycle - Organic alkali metal salt - Dialkylthioether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Thioether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.
External Descriptors
Not available