Compound Identification
SMILES
CCOC(=O)CCCN[C@@H](CN1C(=O)N(CC2=C(F)C=CC=C2Cl)C(C)=C(C1=O)C1=C(F)C(OC)=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=TVFGXUOVGGYPMS-MHZLTWQESA-N
Formula
C33H34ClF2N3O5
Mass
626.1
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
Gamma amino acids and derivatives Methoxybenzenes Anisoles Phenoxy compounds Chlorobenzenes Fatty acid esters Fluorobenzenes Aralkylamines Pyrimidones Alkyl aryl ethers Hydropyrimidines Aryl chlorides Aryl fluorides Heteroaromatic compounds Vinylogous amides Carboxylic acid esters Lactams Ureas Monocarboxylic acids and derivatives Azacyclic compounds Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Gamma amino acid or derivatives - 5-phenylpyrimidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Fatty acid ester - Pyrimidone - Chlorobenzene - Halobenzene - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Aryl fluoride - Fatty acyl - Hydropyrimidine - Aryl halide - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Urea - Carboxylic acid ester - Lactam - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Ether - Secondary aliphatic amine - Secondary amine - Organofluoride - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Amine - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - Organic oxygen 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