Compound Identification
SMILES
CCOC(=O)NS(=C)(=O)C1=CC=C(NC2=NC=C(C(N[C@H](C)CO)=N2)C2=CC=C(NC(=O)NC3=CC=CC(=C3)C(F)(F)F)C=C2)C=C1
InChIKey
InChIKey=KBAKQWHLMLURGC-KZMFFXIASA-N
Formula
C31H32F3N7O5S
Mass
671.7
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
Trifluoromethylbenzenes N-phenylureas Aniline and substituted anilines Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Ureas Azacyclic compounds Hydrocarbon derivatives Organofluorides Carbonyl compounds Alkyl fluorides Organosulfur compounds Primary alcohols Amines Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - N-phenylurea - Trifluoromethylbenzene - Aniline or substituted anilines - Aminopyrimidine - Monocyclic benzene moiety - Benzenoid - Imidolactam - Heteroaromatic compound - Urea - Azacycle - Alkyl halide - Primary alcohol - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Carbonyl group - Alcohol - Organic nitrogen compound - Amine - Hydrocarbon derivative - Alkyl fluoride - 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