Structure Information
Structure

Compound Identification

SMILES

CS(O)(=O)=O.NC(=O)NO.NC1=NC(=O)N(C=C1)[C@@H]1CS[C@H](CO)O1.CC1=CN([C@@H]2O[C@H](CO)C=C2)C(=O)NC1=O.CC1=C(C=CC=C1O)C(=O)N[C@@H](CSC1=CC=CC=C1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C

InChIKey

InChIKey=OKHHZORWOHIUFN-YYDUYMIOSA-N

Formula

C52H76N10O16S3

Mass

1193.41

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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 - Alpha-amino acid amide - Alpha-amino acid or derivatives - Benzamide - Benzoic acid or derivatives - O-toluamide - Toluamide - 2-piperidinecarboxamide - Piperidinecarboxamide - Aryl thioether - Benzoyl - O-cresol - Thiophenol ether - 1-hydroxy-4-unsubstituted benzenoid - Aminopyrimidine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyrimidone - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Piperidine - Hydropyrimidine - Imidolactam - Pyrimidine - Monothioacetal - Methanesulfonate - Alkanesulfonic acid - Oxathiolane - Heteroaromatic compound - Dihydrofuran - Vinylogous amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Carboxamide group - Tertiary amine - 1,2-aminoalcohol - Secondary alcohol - Secondary carboxylic acid amide - Urea - Lactam - Tertiary aliphatic amine - Amino acid or derivatives - Sulfenyl compound - Oxacycle - Organoheterocyclic compound - Thioether - Carboxylic acid derivative - Azacycle - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Primary alcohol - Alcohol - Primary 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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