Compound Identification
SMILES
CCOC(=O)C(Br)C(O)C1=CNC(=O)NC1=O
InChIKey
InChIKey=VRNBWTQXKXBRDK-UHFFFAOYSA-N
Formula
C9H11BrN2O5
Mass
307.1
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
Beta hydroxy acids and derivatives Fatty acid esters Hydropyrimidines Vinylogous amides Alpha-halocarboxylic acid derivatives Heteroaromatic compounds Ureas Secondary alcohols Lactams Bromohydrins Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Aromatic alcohols Organonitrogen compounds Alkyl bromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Beta-hydroxy acid - Fatty acid ester - Pyrimidone - Hydroxy acid - Hydropyrimidine - Fatty acyl - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Heteroaromatic compound - Vinylogous amide - Bromohydrin - Lactam - Halohydrin - Secondary alcohol - Urea - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Alcohol - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Alkyl bromide - 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