Compound Identification
SMILES
COC(=O)C[C@]1(CC(=NO1)C1=CC=CC(=C1)C#N)C(=O)NC1=NC=C(C=N1)C1=CC=CC=C1S(=O)(=O)NC(C)(C)C
InChIKey
InChIKey=IAEOZPVPHRUICL-MUUNZHRXSA-N
Formula
C28H28N6O6S
Mass
576.63
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
Benzenesulfonamides Benzenesulfonyl compounds Benzonitriles N-arylamides Fatty acid esters Fatty amides Organosulfonamides Methyl esters Isoxazolines Heteroaromatic compounds Aminosulfonyl compounds Secondary carboxylic acid amides Nitriles Azacyclic compounds Monocarboxylic acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - Benzenesulfonamide - Benzenesulfonyl group - Benzonitrile - N-arylamide - Fatty acid ester - Monocyclic benzene moiety - Fatty amide - Organosulfonic acid amide - Benzenoid - Fatty acyl - Methyl ester - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Isoxazoline - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Oxacycle - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Cyanide - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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