Compound Identification
SMILES
CCCOC(=O)C1=NC(OC)=C(COCC2=CC=CC=C2)C(=C1)C(=O)CC
InChIKey
InChIKey=SBFNPYNSLVNLAO-UHFFFAOYSA-N
Formula
C21H25NO5
Mass
371.433
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyridines and derivatives
-
Subclass
Pyridinecarboxylic acids and derivatives
-
Level 5
Pyridinecarboxylic acids
-
Level 6
Pyridine-2-carboxylic acids
- Level 7 5-alkyl-2-carboxypyrimidines
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Level 6
Pyridine-2-carboxylic acids
-
Level 5
Pyridinecarboxylic acids
-
Subclass
Pyridinecarboxylic acids and derivatives
-
Class
Pyridines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes
Pyridinecarboxylic acids - Pyridine-2-carboxylic acids
Direct Parent
5-alkyl-2-carboxypyrimidines
Alternative Parents
Benzylethers Aryl alkyl ketones Alkyl aryl ethers Heteroaromatic compounds Carboxylic acid esters Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-alkyl-2-carboxypyrimidine - Benzylether - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Ketone - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 5-alkyl-2-carboxypyrimidines. These are pyrimidine-2-carboxylic acids that carry an alkyl group at the 5-position of the pyridine ring.
External Descriptors
Not available