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

Systemtic Name: [5-(6-methylsulfanylpurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Openeye Name: [5-(6-methylsulfanylpurin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [5-[6-(methylthio)-9-purinyl]-2-(phosphonooxymethyl)-3-oxolanyl] dihydrogen phosphate IUPAC Name: [5-(6-methylsulfanylpurin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate Traditional Name: [5-[6-(methylthio)purin-9-yl]-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C11H16N4O9P2S MolecularWeight: 442.278662

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=NC2=C1N=CN2C3CC(C(O3)COP(=O)(O)O)OP(=O)(O)O

Isomeric SMILES

CSC1=NC=NC2=C1N=CN2C3CC(C(O3)COP(=O)(O)O)OP(=O)(O)O

InChI

InChI=1S/C11H16N4O9P2S/c1-27-11-9-10(12-4-13-11)15(5-14-9)8-2-6(24-26(19,20)21)7(23-8)3-22-25(16,17)18/h4-8H,2-3H2,1H3,(H2,16,17,18)(H2,19,20,21)