[5-[6-(methylamino)purin-9-yl]-2-(phosphonatooxymethyl)oxolan-3-yl] phosphate

Systemtic Name: [5-[6-(methylamino)purin-9-yl]-2-(phosphonatooxymethyl)oxolan-3-yl] phosphate Openeye Name: [5-[6-(methylamino)purin-9-yl]-2-(phosphonatooxymethyl)tetrahydrofuran-3-yl] phosphate CAS Name: [5-[6-(methylamino)-9-purinyl]-2-(phosphonatooxymethyl)-3-oxolanyl] phosphate IUPAC Name: [5-[6-(methylamino)purin-9-yl]-2-(phosphonatooxymethyl)oxolan-3-yl] phosphate Traditional Name: [5-[6-(methylamino)purin-9-yl]-2-(phosphatomethyl)tetrahydrofuran-3-yl] phosphate Formula: C11H13N5O9P2-4 MolecularWeight: 421.196542

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC2=C1N=CN2C3CC(C(O3)COP(=O)([O-])[O-])OP(=O)([O-])[O-]

Isomeric SMILES

CNC1=NC=NC2=C1N=CN2C3CC(C(O3)COP(=O)([O-])[O-])OP(=O)([O-])[O-]

InChI

InChI=1S/C11H17N5O9P2/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(25-27(20,21)22)7(24-8)3-23-26(17,18)19/h4-8H,2-3H2,1H3,(H,12,13,14)(H2,17,18,19)(H2,20,21,22)/p-4