Compound Identification
SMILES
NC1=NC=C(C=C1)C1=CC=C(C=C1)C(=O)NCCCN1C(=O)N2CCCS(=O)(=O)C2=C(C1=O)C1=CC=CC=C1
InChIKey
InChIKey=HWQYJXRETBWYKJ-UHFFFAOYSA-N
Formula
C28H27N5O5S
Mass
545.61
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
Phenylpyridines Benzamides Benzoyl derivatives Aminopyridines and derivatives Pyrimidones Imidolactams Sulfones Heteroaromatic compounds Vinylogous amides Lactams Ureas Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylpyridine - 5-phenylpyrimidine - Benzamide - Benzoic acid or derivatives - Benzoyl - Aminopyridine - Pyrimidone - Monocyclic benzene moiety - Pyridine - Benzenoid - Imidolactam - Vinylogous amide - Sulfone - Heteroaromatic compound - Secondary carboxylic acid amide - Amino acid or derivatives - Urea - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Primary amine - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic 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