Compound Identification
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC1C(O)C(CO)OC1N1C(Br)=C(C#N)C2=C1N=CN=C2N
InChIKey
InChIKey=KYCXTVIMIRUAIN-UHFFFAOYSA-N
Formula
C19H18BrN5O6S
Mass
524.35
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
Kingdom
Organic compounds
Superclass
Nucleosides, nucleotides, and analogues
Class
Pyrrolopyrimidine nucleosides and nucleotides
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolopyrimidine nucleosides and nucleotides
Alternative Parents
p-Methylbenzenesulfonates Benzenesulfonate esters Glycosylamines Tosyl compounds Pentoses Arylsulfonic acids and derivatives Benzenesulfonyl compounds Pyrrolo[2,3-d]pyrimidines Aminopyrimidines and derivatives Substituted pyrroles Aryl bromides Organosulfonic acid esters Imidolactams Tetrahydrofurans Sulfonyls Heteroaromatic compounds Secondary alcohols Oxacyclic compounds Azacyclic compounds Nitriles Organopnictogen compounds Hydrocarbon derivatives Primary amines Primary alcohols Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolopyrimidine ribonucleoside - Glycosyl compound - N-glycosyl compound - Benzenesulfonate ester - P-methylbenzenesulfonate - Pentose monosaccharide - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Pyrrolo[2,3-d]pyrimidine - Benzenesulfonyl group - Pyrrolopyrimidine - Aminopyrimidine - Toluene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Monosaccharide - Pyrimidine - Substituted pyrrole - Organosulfonic acid ester - Imidolactam - Benzenoid - Organic sulfonic acid or derivatives - Heteroaromatic compound - Pyrrole - Tetrahydrofuran - Sulfonyl - Organosulfonic acid or derivatives - Secondary alcohol - Organoheterocyclic compound - Azacycle - Oxacycle - Carbonitrile - Nitrile - Organopnictogen compound - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Primary amine - Alcohol - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolopyrimidine nucleosides and nucleotides. These are nucleoside derivatives containing a ribose derivative which is n-glycosylated to a pyrrolopyrimidine. Also called deazapurine nucleosides, they are analogs of purine nucleosides with the N atom of the purine being replaced by a C atom at position 7.
External Descriptors
Not available