Compound Identification
SMILES
CCOC(=O)C1=C(C)N=C(NC2=NC(=CC(=N2)N2CCCN(CC2)C(C)=O)C2=CC=C(C=C2)C(O)=O)S1
InChIKey
InChIKey=ASGAHMHUTURAES-UHFFFAOYSA-N
Formula
C25H28N6O5S
Mass
524.6
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
Benzoic acids Thiazolecarboxylic acids and derivatives 2,4,5-trisubstituted thiazoles Benzoyl derivatives Dialkylarylamines 1,4-diazepanes Aminopyrimidines and derivatives 2-amino-1,3-thiazoles Imidolactams Acetamides Tertiary carboxylic acid amides Heteroaromatic compounds Carboxylic acid esters Amino acids Secondary amines Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Benzoic acid or derivatives - Benzoic acid - 2,4,5-trisubstituted 1,3-thiazole - Benzoyl - Thiazolecarboxylic acid or derivatives - Dialkylarylamine - Aminopyrimidine - 1,4-diazepane - Diazepane - 1,3-thiazol-2-amine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Acetamide - Azole - Thiazole - Tertiary carboxylic acid amide - Tertiary amine - Carboxylic acid ester - Carboxamide group - Amino acid - Amino acid or derivatives - Secondary amine - Carboxylic acid - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic oxide - Amine - Organonitrogen compound - 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