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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Nucleosides, nucleotides, and analogues
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
Indolecarboxamides and derivatives N-arylpiperazines Pyridinylpiperazines 2-halobenzoic acids and derivatives Benzoic acid esters Sulfanilides Indoles Pyrrole carboxamides Benzoyl derivatives Dialkylarylamines 2-heteroaryl carboxamides Secondary alkylarylamines Pyrimidones Aminopyridines and derivatives Chlorobenzenes Aminopyrimidines and derivatives Substituted pyrroles Organosulfonamides Hydropyrimidines Organic sulfonamides Imidolactams Aryl chlorides Vinylogous halides Thioamides Aminosulfonyl compounds Tertiary carboxylic acid amides Oxathiolanes Furans Heteroaromatic compounds Monothioacetals Carboxylic acid esters Amino acids and derivatives Thiocarboxylic acid amides Oxacyclic compounds Azacyclic compounds Primary alcohols Primary amines Thiocarbonyl compounds Hydrocarbon derivatives Organochlorides Organic oxides
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