3,7-dihydropurine-2-thione; 6-(hydroxymethyl)-3-methoxy-4,5-bis(oxidanyl)oxan-2-olate

Systemtic Name: 3,7-dihydropurine-2-thione; 6-(hydroxymethyl)-3-methoxy-4,5-bis(oxidanyl)oxan-2-olate Openeye Name: 3,7-dihydropurine-2-thione; 4,5-dihydroxy-6-(hydroxymethyl)-3-methoxy-tetrahydropyran-2-olate CAS Name: 3,7-dihydropurine-2-thione; 4,5-dihydroxy-6-(hydroxymethyl)-3-methoxy-2-oxanolate IUPAC Name: 3,7-dihydropurine-2-thione; 4,5-dihydroxy-6-(hydroxymethyl)-3-methoxyoxan-2-olate Traditional Name: 3,7-dihydropurine-2-thione; 4,5-dihydroxy-3-methoxy-6-methylol-tetrahydropyran-2-olate Formula: C12H17N4O6S- MolecularWeight: 345.35158

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(OC1[O-])CO)O)O.C1=NC(=S)NC2=C1NC=N2

Isomeric SMILES

COC1C(C(C(OC1[O-])CO)O)O.C1=NC(=S)NC2=C1NC=N2

InChI

InChI=1S/C7H13O6.C5H4N4S/c1-12-6-5(10)4(9)3(2-8)13-7(6)11;10-5-6-1-3-4(9-5)8-2-7-3/h3-10H,2H2,1H3;1-2H,(H2,6,7,8,9,10)/q-1;