Compound Identification
SMILES
COC1=C(C=C(C=C1)C1=C(C)C=C(C=C1)C(O)=O)C1=CN=C(N=C1CN1C(=O)O[C@@H](C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C11CC1)N(C)C
InChIKey
InChIKey=VLRZIQHQIAUPAT-LJAQVGFWSA-N
Formula
C35H30F6N4O5
Mass
700.638
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
Biphenyls and derivatives Trifluoromethylbenzenes Benzoic acids Anisoles Benzoyl derivatives Phenoxy compounds Dialkylarylamines Methoxybenzenes Alkyl aryl ethers Aminopyrimidines and derivatives Toluenes Oxazolidinones Heteroaromatic compounds Carbamate esters Carboxylic acids Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Biphenyl - 5-phenylpyrimidine - Trifluoromethylbenzene - Benzoic acid or derivatives - Benzoic acid - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Dialkylarylamine - Methoxybenzene - Toluene - Alkyl aryl ether - Aminopyrimidine - Benzenoid - Oxazolidinone - Monocyclic benzene moiety - Carbamic acid ester - Heteroaromatic compound - Oxazolidine - Oxacycle - Azacycle - Ether - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - 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