Compound Identification
SMILES
NCCNC1=NC2=C(N=CN=C2N)N1[C@@H]1O[C@@H]2COP(O)(=S)O[C@H]2[C@H]1O
InChIKey
InChIKey=QJVPBGACPVWUEA-PBTRTUTOSA-N
Formula
C12H18N7O5PS
Mass
403.35
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
Kingdom
Organic compounds
Superclass
Nucleosides, nucleotides, and analogues
Class
Nucleoside and nucleotide analogues
Subclass
3',5'-cyclic purine nucleoside phosphorothioates
Intermediate Tree Nodes
Not available
Direct Parent
3',5'-cyclic purine nucleoside phosphorothioates
Alternative Parents
Glycosylamines 6-aminopurines Thiophosphate diesters Secondary alkylarylamines Aminopyrimidines and derivatives Aminoimidazoles N-substituted imidazoles Monosaccharides Imidolactams Oxolanes Heteroaromatic compounds Secondary alcohols Azacyclic compounds Oxacyclic compounds Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3',5'-cyclic purine nucleoside phosphorothioate - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Imidazopyrimidine - Purine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Thiophosphate diester - Aminoimidazole - Monosaccharide - N-substituted imidazole - Thiophosphoric acid ester - Pyrimidine - Imidolactam - Organic thiophosphoric acid or derivatives - Azole - Oxolane - Heteroaromatic compound - Imidazole - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Amine - Alcohol - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Primary amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3',5'-cyclic purine nucleoside phosphorothioates. These are 3',5'-cyclic purine nucleoside phosphate analogues, where a phosphate oxygen has been exchanged for sulphur generating a chiral phosphorothioate. In 3',5'-cyclic nucleoside phosphorothioate, the oxygen atoms at the 3'- and 5'-positions of the ribose are part of the phosphorothioate group.
External Descriptors
Not available