Compound Identification
SMILES
[Na+].[O-]C(=O)CCCCCCCSC1=NC=C(C2=CC=CC=C2)C(=N1)C1=CC=CC=C1
InChIKey
InChIKey=GTZCHTJAOMTWIG-UHFFFAOYSA-M
Formula
C24H25N2NaO2S
Mass
428.53
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Phenylpyrimidines
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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
Phenylpyrimidines
Alternative Parents
Medium-chain fatty acids Thia fatty acids Alkylarylthioethers Benzene and substituted derivatives Heteroaromatic compounds Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Sulfenyl compounds Azacyclic compounds Organic sodium salts Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - 4-phenylpyrimidine - Aryl thioether - Medium-chain fatty acid - Thia fatty acid - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Fatty acid - Fatty acyl - Heteroaromatic compound - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Thioether - Sulfenyl compound - Monocarboxylic acid or derivatives - Organic alkali metal salt - Azacycle - Organic nitrogen compound - Organic zwitterion - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. 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