Compound Identification
SMILES
OS(=O)S(O)=O.C[C@@H](C1=NC=NC=C1F)[C@](O)(CN1NCN=C1)C1=C(C=C(F)C=C1)C1=NC=NC=C1F
InChIKey
InChIKey=RRJBUUJOSBNJCU-XVHUJMMASA-N
Formula
C20H20F3N7O5S2
Mass
559.54
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
Phenylpropanes Organic dithionites Fluorobenzenes Halopyrimidines Aryl fluorides Triazolines Tertiary alcohols Heteroaromatic compounds Amidrazones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Formamidines Hydrocarbon derivatives Imines Organic oxides Aromatic alcohols Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Phenylpropane - Fluorobenzene - Halobenzene - Halopyrimidine - Organic dithionite - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Triazoline - Heteroaromatic compound - Tertiary alcohol - Carboxylic acid amidrazone - Amidine - Formamidine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Alcohol - Imine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - 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