barium; [5-(hydroxymethyl)-4-oxidanyl-2-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] dihydrogen phosphate

Systemtic Name: barium; [5-(hydroxymethyl)-4-oxidanyl-2-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] dihydrogen phosphate Openeye Name: barium; [4-hydroxy-5-(hydroxymethyl)-2-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: barium; [4-hydroxy-5-(hydroxymethyl)-2-(6-sulfanylidene-3H-purin-9-yl)-3-oxolanyl] dihydrogen phosphate IUPAC Name: barium; [4-hydroxy-5-(hydroxymethyl)-2-(6-sulfanylidene-3H-purin-9-yl)oxolan-3-yl] dihydrogen phosphate Traditional Name: barium; [4-hydroxy-5-methylol-2-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C10H13BaN4O7PS MolecularWeight: 501.598581

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC(=S)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)OP(=O)(O)O.[Ba]

Isomeric SMILES

C1=NC(=S)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)OP(=O)(O)O.[Ba]

InChI

InChI=1S/C10H13N4O7PS.Ba/c15-1-4-6(16)7(21-22(17,18)19)10(20-4)14-3-13-5-8(14)11-2-12-9(5)23;/h2-4,6-7,10,15-16H,1H2,(H,11,12,23)(H2,17,18,19);