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

Systemtic Name: [5-[2-methyl-6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Openeye Name: [5-[2-methyl-6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [5-[2-methyl-6-(methylamino)-9-purinyl]-2-(phosphonooxymethyl)-3-oxolanyl] dihydrogen phosphate IUPAC Name: [5-[2-methyl-6-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Traditional Name: [5-[2-methyl-6-(methylamino)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:

CC1=NC2=C(C(=N1)NC)N=CN2C3CC(C(O3)COP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

CC1=NC2=C(C(=N1)NC)N=CN2C3CC(C(O3)COP(=O)(O)O)OP(=O)(O)O

InChI

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