Compound Identification
SMILES
CC1(C)O[C@@H]2[C@H](COCS([O-])(=O)=O)O[C@@H]([C@H]2O1)N1C=C(F)C(=O)NC1=O
InChIKey
InChIKey=JBDGTMCLYQAFJR-DKIAZLNASA-M
Formula
C13H16FN2O9S
Mass
395.33
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 Halopyrimidines
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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
Halopyrimidines
Alternative Parents
Pyrimidones Ketals Aryl fluorides Monosaccharides Hydropyrimidines Vinylogous amides Sulfonyls Oxolanes Organosulfonic acids 1,3-dioxolanes Alkanesulfonic acids Heteroaromatic compounds Ureas Lactams Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Halopyrimidine - Ketal - Pyrimidone - Aryl fluoride - Aryl halide - Hydropyrimidine - Monosaccharide - Meta-dioxolane - Oxolane - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Vinylogous amide - Lactam - Urea - Oxacycle - Azacycle - Acetal - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Organic anion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. 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