Compound Identification
SMILES
CCC1C(=O)N2N=CSC2=[N+](CC)C1=O
InChIKey
InChIKey=KSQLNFRGSBRFHO-UHFFFAOYSA-N
Formula
C9H12N3O2S
Mass
226.27
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
-
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 1,3-dicarbonyl compounds Thiadiazolines N-acylimines Carboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Pyrimidone - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - 1,3-dicarbonyl compound - Thiadiazoline - N-acylimine - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic cation - Aliphatic heteropolycyclic 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