Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)CSC2=NC=CC(=N2)C2=CC=C(OC(F)F)C=C2)SC2=C1CC[C@H](C)C2
InChIKey
InChIKey=AHARZZPXMCVSQB-AWEZNQCLSA-N
Formula
C25H25F2N3O4S2
Mass
533.61
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
Thiophene carboxylic acids and derivatives Phenoxy compounds Phenol ethers N-arylamides Alkylarylthioethers Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organofluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Phenoxy compound - Aryl thioether - Phenol ether - N-arylamide - Thiophene carboxylic acid or derivatives - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiophene - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Alkyl fluoride - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Alkyl halide - Organic nitrogen 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