Compound Identification
SMILES
CC1=C(CC(C)(C)C(O)=O)N(CC2=CC=C(Cl)C=C2)C2=C1C=C(C=C2)C1=CC(F)=C(C=C1)C1=NC=NC=C1
InChIKey
InChIKey=YPRSPLPXXIOXHG-UHFFFAOYSA-N
Formula
C31H27ClFN3O2
Mass
528.02
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
3-methylindoles N-alkylindoles Fluorobenzenes Chlorobenzenes Substituted pyrroles Aryl chlorides Aryl fluorides Heteroaromatic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - 3-alkylindole - N-alkylindole - 3-methylindole - Indole - Indole or derivatives - Chlorobenzene - Fluorobenzene - Halobenzene - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Aryl chloride - Aryl halide - Aryl fluoride - Heteroaromatic compound - Pyrrole - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organofluoride - Organochloride - Organic oxide - Organohalogen 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