Compound Identification
SMILES
CCCC(=O)OC[C@H]1CSC(O1)N1C=C(F)C(N)=NC1=O
InChIKey
InChIKey=RAOVVRABHSTKOJ-KAJCPDDVSA-N
Formula
C12H16FN3O4S
Mass
317.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Halopyrimidines
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Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
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 Aminopyrimidines and derivatives Fatty acid esters Aryl fluorides Imidolactams Hydropyrimidines Oxathiolanes Monothioacetals Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminopyrimidine - Fatty acid ester - Pyrimidone - Halopyrimidine - Aryl fluoride - Aryl halide - Fatty acyl - Imidolactam - Hydropyrimidine - Heteroaromatic compound - Oxathiolane - Monothioacetal - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organooxygen compound - Primary amine - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic 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