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

Systemtic Name: [5-[6-(dimethylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Openeye Name: [5-[6-(dimethylamino)purin-9-yl]-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [5-[6-(dimethylamino)-9-purinyl]-2-(phosphonooxymethyl)-3-oxolanyl] dihydrogen phosphate IUPAC Name: [5-[6-(dimethylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Traditional Name: [5-[6-(dimethylamino)purin-9-yl]-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C12H19N5O9P2 MolecularWeight: 439.254882

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=NC2=C1N=CN2C3CC(C(O3)COP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

CN(C)C1=NC=NC2=C1N=CN2C3CC(C(O3)COP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C12H19N5O9P2/c1-16(2)11-10-12(14-5-13-11)17(6-15-10)9-3-7(26-28(21,22)23)8(25-9)4-24-27(18,19)20/h5-9H,3-4H2,1-2H3,(H2,18,19,20)(H2,21,22,23)