Compound Identification
SMILES
CS(=O)(=O)NC1=CC=CC(=C1)C1=NN(C(C1)C1=CC=CC=C1O)C1=NC2=C(C=C(Cl)C=C2)C(=N1)C1=CC=CC=C1
InChIKey
InChIKey=AKCFBPNNZAUDGC-UHFFFAOYSA-N
Formula
C30H24ClN5O3S
Mass
570.06
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
Quinazolinamines Sulfanilides 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Organosulfonamides Organic sulfonamides Aryl chlorides Pyrazolines Aminosulfonyl compounds Heteroaromatic compounds Azacyclic compounds Hydrazones Hydrocarbon derivatives Organic oxides Organooxygen compounds Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Quinazolinamine - Quinazoline - Sulfanilide - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Pyrazoline - Organosulfonic acid or derivatives - Azacycle - Hydrazone - Organohalogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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