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

Systemtic Name: [2-[6-(methylamino)purin-9-yl]-5-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Openeye Name: [2-[6-(methylamino)purin-9-yl]-5-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [2-[6-(methylamino)-9-purinyl]-5-(phosphonooxymethyl)-3-oxolanyl] dihydrogen phosphate IUPAC Name: [2-[6-(methylamino)purin-9-yl]-5-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Traditional Name: [2-[6-(methylamino)purin-9-yl]-5-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C11H17N5O9P2 MolecularWeight: 425.228302

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC2=C1N=CN2C3C(CC(O3)COP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

CNC1=NC=NC2=C1N=CN2C3C(CC(O3)COP(=O)(O)O)OP(=O)(O)O

InChI

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