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

Systemtic Name: [5-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxan-3-yl] dihydrogen phosphate Openeye Name: [5-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)tetrahydropyran-3-yl] dihydrogen phosphate CAS Name: [5-[6-(methylamino)-9-purinyl]-2-(phosphonooxymethyl)-3-oxanyl] dihydrogen phosphate IUPAC Name: [5-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxan-3-yl] dihydrogen phosphate Traditional Name: [5-[6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)tetrahydropyran-3-yl] dihydrogen phosphate Formula: C12H19N5O9P2 MolecularWeight: 439.254882

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC2=C1N=CN2C3CC(C(OC3)COP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

CNC1=NC=NC2=C1N=CN2C3CC(C(OC3)COP(=O)(O)O)OP(=O)(O)O

InChI

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