Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)C2=NN3C(=C2)N=C(C=C3C(F)(F)F)C2=CC=C(OC)C=C2)SC2=C1CCCC2
InChIKey
InChIKey=QLDYXRUVTYNBCD-UHFFFAOYSA-N
Formula
C26H23F3N4O4S
Mass
544.55
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
Pyrazolo[1,5-a]pyrimidines Thiophene carboxylic acids and derivatives Pyrazole-5-carboxamides Phenoxy compounds 2-heteroaryl carboxamides Anisoles Methoxybenzenes Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Organonitrogen compounds Organic oxides Alkyl fluorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - 2-heteroaryl carboxamide - Phenoxy compound - Anisole - Phenol ether - Pyrazole-5-carboxamide - Methoxybenzene - Thiophene carboxylic acid or derivatives - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Thiophene - Vinylogous amide - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Alkyl halide - Organooxygen compound - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen 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