Compound Identification
SMILES
COC1=CC=C(C=C1)C1=CC(=NC(SCCC(=O)N2CC[NH+](C)CC2)=N1)C(F)(F)F
InChIKey
InChIKey=QZBOXGWSGZLWDF-UHFFFAOYSA-O
Formula
C20H24F3N4O2S
Mass
441.49
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 Methoxybenzenes Phenoxy compounds Alkylarylthioethers N-methylpiperazines Alkyl aryl ethers Quaternary ammonium salts Heteroaromatic compounds Tertiary carboxylic acid amides Amino acids and derivatives Trialkylamines Azacyclic compounds Sulfenyl compounds Organofluorides Organic oxides Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - N-methylpiperazine - N-alkylpiperazine - Alkylarylthioether - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Tertiary carboxylic acid amide - Quaternary ammonium salt - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Sulfenyl compound - Thioether - Azacycle - Carboxylic acid derivative - Ether - Amine - Alkyl halide - Organofluoride - Organohalogen compound - Organonitrogen compound - Alkyl fluoride - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic cation - 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