Structure Information
Structure

Compound Identification

SMILES

NC1=NC(=O)N(C=C1)[C@@H]1CS[C@H](CO)O1.CC1=C(C=CO1)C(=S)NC1=CC(C(=O)OC2CCCC2)=C(Cl)C=C1.CC(C)NC1=C(N=CC=C1)N1CCN(CC1)C(=O)C1=CC2=C(N1)C=CC(NS(C)(=O)=O)=C2

InChIKey

InChIKey=DZLZIRXQRWUIFN-XIUWGNCSSA-N

Formula

C48H57ClN10O9S3

Mass

1049.68

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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

Not available

Substituents

3'-thia pyrimidine nucleoside - N-arylpiperazine - Pyridinylpiperazine - Indolecarboxylic acid derivative - Indolecarboxamide derivative - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Sulfanilide - Benzoate ester - Indole - Indole or derivatives - Benzoic acid or derivatives - Dialkylarylamine - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Benzoyl - Aminopyridine - Aminopyrimidine - Chlorobenzene - Halobenzene - Pyrimidone - Secondary aliphatic/aromatic amine - Organosulfonic acid amide - Aryl chloride - Organic sulfonic acid amide - Aryl halide - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - 1,4-diazinane - Hydropyrimidine - Imidolactam - Piperazine - Pyridine - Pyrimidine - Aminosulfonyl compound - Thioamide - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Furan - Pyrrole - Heteroaromatic compound - Monothioacetal - Oxathiolane - Vinylogous halide - Carboxamide group - Carboxylic acid ester - Amino acid or derivatives - Azacycle - Oxacycle - Secondary amine - Organoheterocyclic compound - Thiocarboxylic acid amide - Carboxylic acid derivative - Hydrocarbon derivative - Thiocarbonyl group - Alcohol - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Primary alcohol - Primary amine - Amine - Aromatic heteropolycyclic 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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