3,7-dihydropurine-6-thione; [3,4,5,6-tetrakis(oxidanyl)oxan-2-yl] dihydrogen phosphate

Systemtic Name: 3,7-dihydropurine-6-thione; [3,4,5,6-tetrakis(oxidanyl)oxan-2-yl] dihydrogen phosphate Openeye Name: 3,7-dihydropurine-6-thione; (3,4,5,6-tetrahydroxytetrahydropyran-2-yl) dihydrogen phosphate CAS Name: 3,7-dihydropurine-6-thione; (3,4,5,6-tetrahydroxy-2-oxanyl) dihydrogen phosphate IUPAC Name: 3,7-dihydropurine-6-thione; (3,4,5,6-tetrahydroxyoxan-2-yl) dihydrogen phosphate Traditional Name: 3,7-dihydropurine-6-thione; (3,4,5,6-tetrahydroxytetrahydropyran-2-yl) dihydrogen phosphate Formula: C10H15N4O9PS MolecularWeight: 398.286261

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=S)N=CN2.C1(C(C(OC(C1O)OP(=O)(O)O)O)O)O

Isomeric SMILES

C1=NC2=C(N1)C(=S)N=CN2.C1(C(C(OC(C1O)OP(=O)(O)O)O)O)O

InChI

InChI=1S/C5H4N4S.C5H11O9P/c10-5-3-4(7-1-6-3)8-2-9-5;6-1-2(7)4(9)13-5(3(1)8)14-15(10,11)12/h1-2H,(H2,6,7,8,9,10);1-9H,(H2,10,11,12)