[(2R,3S,5R)-5-[2-ethynyl-6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate

Systemtic Name: [(2R,3S,5R)-5-[2-ethynyl-6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Openeye Name: [(2R,3S,5R)-5-[2-ethynyl-6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [(2R,3S,5R)-5-[2-ethynyl-6-(methylamino)-9-purinyl]-2-(phosphonooxymethyl)-3-oxolanyl] dihydrogen phosphate IUPAC Name: [(2R,3S,5R)-5-[2-ethynyl-6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Traditional Name: [(2R,3S,5R)-5-[2-ethynyl-6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C13H17N5O9P2 MolecularWeight: 449.249702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2C3CC(C(O3)COP(=O)(O)O)OP(=O)(O)O)C#C

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)C#C

InChI

InChI=1S/C13H17N5O9P2/c1-3-9-16-12(14-2)11-13(17-9)18(6-15-11)10-4-7(27-29(22,23)24)8(26-10)5-25-28(19,20)21/h1,6-8,10H,4-5H2,2H3,(H,14,16,17)(H2,19,20,21)(H2,22,23,24)/t7-,8+,10+/m0/s1