Compound Identification
SMILES
CCOC(=O)C1=C(C)C(C(=O)OCC)=C(NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C2=CC=C(OC)C=C2)S1
InChIKey
InChIKey=UYOIPFNZHWHDRH-UHFFFAOYSA-N
Formula
C25H24F3N3O6S2
Mass
583.6
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
Anisoles Methoxybenzenes N-arylamides Phenoxy compounds Thiophene carboxylic acids and derivatives Alkylarylthioethers Alkyl aryl ethers Heteroaromatic compounds Vinylogous amides Carboxylic acid esters Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organofluorides Organic oxides Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - N-arylamide - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiophene - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organonitrogen compound - Alkyl fluoride - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Alkyl halide - Organosulfur 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