Compound Identification
SMILES
COC1=CC=CC=C1C1=CC(=NC(SC2CC(=O)C3OCC2O3)=N1)C(F)(F)F
InChIKey
InChIKey=PZMORQKSAZIXSI-UHFFFAOYSA-N
Formula
C18H15F3N2O4S
Mass
412.38
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
Phenoxy compounds Anisoles Methoxybenzenes Oxepanes Alkyl aryl ethers Alkylarylthioethers Oxanes 1,3-dioxolanes Heteroaromatic compounds Ketones Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Acetals Hydrocarbon derivatives Organofluorides Organonitrogen compounds Organopnictogen compounds Alkyl fluorides Aldehydes Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - 5-phenylpyrimidine - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Oxepane - Alkylarylthioether - Monocyclic benzene moiety - Oxane - Benzenoid - Meta-dioxolane - Heteroaromatic compound - Ketone - Acetal - Ether - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Aldehyde - Organic oxygen compound - Alkyl fluoride - Alkyl halide - 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