Compound Identification
SMILES
COC1=CC=CC(CNC[C@@H](C)N2C(=O)N(CC3=C(F)C=CC=C3F)C(C)=C(C2=O)C2=CC(OC)=CC=C2)=C1
InChIKey
InChIKey=IFTSZJBFFKLIJT-LJQANCHMSA-N
Formula
C30H31F2N3O4
Mass
535.592
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 Benzylamines Methoxybenzenes Phenoxy compounds Phenylmethylamines Aralkylamines Fluorobenzenes Alkyl aryl ethers Pyrimidones Hydropyrimidines Aryl fluorides Heteroaromatic compounds Vinylogous amides Lactams Ureas Dialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - Phenoxy compound - Anisole - Phenol ether - Phenylmethylamine - Methoxybenzene - Benzylamine - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aralkylamine - Pyrimidone - Hydropyrimidine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Heteroaromatic compound - Lactam - Urea - Azacycle - Secondary amine - Secondary aliphatic amine - Ether - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen 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