Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.CC(C)[C@H](N)C(=O)OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)N1C=CC(N)=NC1=O
InChIKey
InChIKey=NLUJJHKTXKQHHU-FRVGMCTHSA-N
Formula
C21H30N4O9S
Mass
514.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Nucleosides, nucleotides, and analogues
- Class Pyrimidine nucleosides
-
Superclass
Nucleosides, nucleotides, and analogues
Kingdom
Organic compounds
Superclass
Nucleosides, nucleotides, and analogues
Class
Pyrimidine nucleosides
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrimidine nucleosides
Alternative Parents
Valine and derivatives Alpha amino acid esters p-Methylbenzenesulfonates Glycosylamines Tosyl compounds Pentoses 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Pyrimidones Aminopyrimidines and derivatives Fatty acid esters Hydropyrimidines Imidolactams Sulfonyls Oxolanes Organosulfonic acids Heteroaromatic compounds Secondary alcohols Carboxylic acid esters 1,2-diols Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Hydrocarbon derivatives Monoalkylamines
Molecular Framework
Not available
Substituents
Pyrimidine nucleoside - Alpha-amino acid ester - Valine or derivatives - Glycosyl compound - N-glycosyl compound - P-methylbenzenesulfonate - Alpha-amino acid or derivatives - Pentose monosaccharide - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Aminopyrimidine - Fatty acid ester - Pyrimidone - Toluene - Benzenoid - Monocyclic benzene moiety - Monosaccharide - Fatty acyl - Hydropyrimidine - Pyrimidine - Imidolactam - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Oxolane - Heteroaromatic compound - Organic sulfonic acid or derivatives - 1,2-diol - Amino acid or derivatives - Carboxylic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Primary aliphatic amine - Organic oxide - Organonitrogen compound - Organooxygen compound - Amine - Organosulfur compound - Primary amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidine nucleosides. These are compounds comprising a pyrimidine base attached to a ribosyl or deoxyribosyl moiety.
External Descriptors
Not available