Structure Information
Structure

Compound Identification

SMILES

OC[C@@H]1O[C@@H](CS1)N1C=CC(NC(=O)C2=C(NC3=CC=CC(=C3)C(F)(F)F)N=CC=C2)=NC1=O

InChIKey

InChIKey=OFFKQDGIQPFSBF-DLBZAZTESA-N

Formula

C21H18F3N5O4S

Mass

493.46

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Nucleosides, nucleotides, and analogues

Class

Nucleoside and nucleotide analogues

Subclass

3'-thia pyrimidine nucleosides

Intermediate Tree Nodes

Not available

Direct Parent

3'-thia pyrimidine nucleosides

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

3'-thia pyrimidine nucleoside - Trifluoromethylbenzene - Nicotinamide - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Aniline or substituted anilines - Aminopyridine - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Pyridine - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Vinylogous amide - Oxathiolane - Monothioacetal - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary amine - Azacycle - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Amine - Organohalogen compound - Organic oxygen compound - Organofluoride - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - Alcohol - Primary alcohol - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 3'-thia pyrimidine nucleosides. These are nucleoside analogues with a structure that consists of a pyrimidine base, which is N-substituted at the 1-position with a 3'-thia derivative (1,3-oxazolidine) of the ribose moiety that is characteristic of nucleosides.

External Descriptors

Not available

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