Compound Identification
SMILES
CSCSCC(N)CO.CC1=C(C=CC(O)=O)C(=O)NC(=O)N1
InChIKey
InChIKey=KJMPAVJPAJIYLI-UHFFFAOYSA-N
Formula
C13H21N3O5S2
Mass
363.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Pyrimidones
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyrimidones
Alternative Parents
Hydropyrimidines Vinylogous amides Dithioacetals Heteroaromatic compounds Ureas 1,2-aminoalcohols Lactams Sulfenyl compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds Monoalkylamines
Molecular Framework
Not available
Substituents
Pyrimidone - Hydropyrimidine - Thioacetal - Heteroaromatic compound - Vinylogous amide - 1,2-aminoalcohol - Lactam - Urea - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Thioether - Dialkylthioether - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Amine - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Primary alcohol - Primary amine - Carbonyl group - Organic nitrogen compound - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available