[5-[6-azanyl-8-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate

Systemtic Name: [5-[6-azanyl-8-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Openeye Name: [5-[6-amino-8-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [5-[6-amino-8-(methylamino)-9-purinyl]-2-(phosphonooxymethyl)-3-oxolanyl] dihydrogen phosphate IUPAC Name: [5-[6-amino-8-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Traditional Name: [5-[6-amino-8-(methylamino)purin-9-yl]-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C11H18N6O9P2 MolecularWeight: 440.242942

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(N1C3CC(C(O3)COP(=O)(O)O)OP(=O)(O)O)N=CN=C2N

Isomeric SMILES

CNC1=NC2=C(N1C3CC(C(O3)COP(=O)(O)O)OP(=O)(O)O)N=CN=C2N

InChI

InChI=1S/C11H18N6O9P2/c1-13-11-16-8-9(12)14-4-15-10(8)17(11)7-2-5(26-28(21,22)23)6(25-7)3-24-27(18,19)20/h4-7H,2-3H2,1H3,(H,13,16)(H2,12,14,15)(H2,18,19,20)(H2,21,22,23)