Compound Identification
SMILES
CCOC(=O)C(=CN1C=CC(=O)NC1=S)C(=O)OCC
InChIKey
InChIKey=XXDIFTJBRRNJQN-UHFFFAOYSA-N
Formula
C12H14N2O5S
Mass
298.31
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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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
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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
Pyrimidinethiones 2-Thiopyrimidines Hydropyrimidines Dicarboxylic acids and derivatives Vinylogous amides Heteroaromatic compounds Enoate esters Thioureas Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Pyrimidone - Dicarboxylic acid or derivatives - Hydropyrimidine - Heteroaromatic compound - Enoate ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Lactam - Thiourea - Carboxylic acid derivative - Azacycle - Organic oxide - 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