Compound Identification
SMILES
COC(=O)CCC1=C(C)NC(=S)NC1=O
InChIKey
InChIKey=ISRRLTIEWOHRNX-UHFFFAOYSA-N
Formula
C9H12N2O3S
Mass
228.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
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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
2-Thiopyrimidines Fatty acid esters Pyrimidinethiones Hydropyrimidines Vinylogous amides Heteroaromatic compounds Methyl esters Lactams Thioureas Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Fatty acid ester - 2-thiopyrimidine - Pyrimidinethione - Thiopyrimidine - Pyrimidone - Hydropyrimidine - Fatty acyl - Methyl ester - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Lactam - Thiourea - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - 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