Compound Identification
SMILES
COC1=CC=CC(=C1Cl)C1=CN(CC2=C(C=CC=C2F)C(F)(F)F)C(=O)N(C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C1=O
InChIKey
InChIKey=RMYUQLHFGARIMW-GOSISDBHSA-N
Formula
C30H34ClF4N3O5
Mass
628.06
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
Trifluoromethylbenzenes Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Pyrimidones Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Hydropyrimidines Vinylogous amides Carbamate esters Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organic oxides Organochlorides Carbonyl compounds Alkyl fluorides Organofluorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - Trifluoromethylbenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Fluorobenzene - Chlorobenzene - Pyrimidone - Aryl chloride - Hydropyrimidine - Aryl fluoride - Monocyclic benzene moiety - Aryl halide - Benzenoid - Vinylogous amide - Heteroaromatic compound - Carbamic acid ester - Lactam - Urea - Ether - Azacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - 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