Compound Identification
SMILES
O=C1N2CCS(=O)(=O)C2=C(C(=O)N1CCCCSC1=CC=CC2=NC=CN12)C1=CC=CC=C1
InChIKey
InChIKey=RFLQNDODNZZZAF-UHFFFAOYSA-N
Formula
C23H22N4O4S2
Mass
482.57
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
Imidazopyridines Imidazo[1,2-a]pyridines Pyrimidones Alkylarylthioethers Pyridines and derivatives Benzene and substituted derivatives N-substituted imidazoles Vinylogous amides Sulfones Heteroaromatic compounds Ureas Lactams Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Imidazo[1,2-a]pyridine - Imidazopyridine - Aryl thioether - Pyrimidone - Alkylarylthioether - Pyridine - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Imidazole - Vinylogous amide - Heteroaromatic compound - Sulfone - Lactam - Urea - Azacycle - Sulfenyl compound - Thioether - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen 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