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

Systemtic Name: [2-(phosphonooxymethyl)-5-[6-(propylamino)purin-9-yl]oxolan-3-yl] dihydrogen phosphate Openeye Name: [2-(phosphonooxymethyl)-5-[6-(propylamino)purin-9-yl]tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [2-(phosphonooxymethyl)-5-[6-(propylamino)-9-purinyl]-3-oxolanyl] dihydrogen phosphate IUPAC Name: [2-(phosphonooxymethyl)-5-[6-(propylamino)purin-9-yl]oxolan-3-yl] dihydrogen phosphate Traditional Name: [2-(phosphonooxymethyl)-5-[6-(propylamino)purin-9-yl]tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C13H21N5O9P2 MolecularWeight: 453.281462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC2=C1N=CN2C3CC(C(O3)COP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

CCCNC1=NC=NC2=C1N=CN2C3CC(C(O3)COP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C13H21N5O9P2/c1-2-3-14-12-11-13(16-6-15-12)18(7-17-11)10-4-8(27-29(22,23)24)9(26-10)5-25-28(19,20)21/h6-10H,2-5H2,1H3,(H,14,15,16)(H2,19,20,21)(H2,22,23,24)