Compound Identification
SMILES
CCOCCOC1=C(C=O)C(COC(=O)CCC2=CN=CN2)=CN=C1C
InChIKey
InChIKey=HKSZQXCHLAWPGR-UHFFFAOYSA-N
Formula
C18H23N3O5
Mass
361.398
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyridines and derivatives
-
Subclass
Pyridine carboxaldehydes
- Level 5 Pyridoxals and derivatives
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Subclass
Pyridine carboxaldehydes
-
Class
Pyridines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyridine carboxaldehydes
Intermediate Tree Nodes
Not available
Direct Parent
Pyridoxals and derivatives
Alternative Parents
Imidazolyl carboxylic acids and derivatives Methylpyridines Fatty acid esters Aryl-aldehydes Alkyl aryl ethers Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridoxal - Imidazolyl carboxylic acid derivative - Alkyl aryl ether - Methylpyridine - Fatty acid ester - Aryl-aldehyde - Fatty acyl - Azole - Heteroaromatic compound - Imidazole - Carboxylic acid ester - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxide - Aldehyde - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridoxals and derivatives. These are compounds containing a pyridoxal moiety, which consists of a pyridine ring substituted at positions 2,3,4, and 5 by a methyl group, a hydroxyl group, a carbaldehyde group, and a hydroxymethyl group, respectively.
External Descriptors
Not available