[5-[6-(methylamino)-2-prop-2-enylsulfanyl-purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate

Systemtic Name: [5-[6-(methylamino)-2-prop-2-enylsulfanyl-purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Openeye Name: [5-[2-allylsulfanyl-6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [5-[6-(methylamino)-2-(prop-2-enylthio)-9-purinyl]-2-(phosphonooxymethyl)-3-oxolanyl] dihydrogen phosphate IUPAC Name: [5-[6-(methylamino)-2-prop-2-enylsulfanylpurin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Traditional Name: [5-[2-(allylthio)-6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C14H21N5O9P2S MolecularWeight: 497.357162

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)SCC=C

Isomeric SMILES

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

InChI

InChI=1S/C14H21N5O9P2S/c1-3-4-31-14-17-12(15-2)11-13(18-14)19(7-16-11)10-5-8(28-30(23,24)25)9(27-10)6-26-29(20,21)22/h3,7-10H,1,4-6H2,2H3,(H,15,17,18)(H2,20,21,22)(H2,23,24,25)