Compound Identification
SMILES
OC1=CC=CC=C1C1=CN=C2N(NC=C2C2=CC=C(SC3=CC=CC=C3)C=C2)C1=O
InChIKey
InChIKey=YWOMLNALBJOCOJ-UHFFFAOYSA-N
Formula
C24H17N3O2S
Mass
411.48
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
Diarylthioethers Phenylpyrazoles Pyrazolo[1,5-a]pyrimidines Thiophenol ethers 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Pyrimidones Benzene and substituted derivatives Heteroaromatic compounds Lactams Sulfenyl compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Phenylpyrazole - Diarylthioether - Pyrazolopyrimidine - Pyrazolo[1,5-a]pyrimidine - Aryl thioether - Thiophenol ether - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Pyrimidone - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrazole - Azole - Lactam - Sulfenyl compound - Thioether - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen 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