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

Systemtic Name: barium; [3,4-bis(oxidanyl)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: barium; [3,4-dihydroxy-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: barium; [3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: barium; [3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate Traditional Name: barium; [3,4-dihydroxy-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl 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)COP(=O)(O)O)O)O.[Ba]

Isomeric SMILES

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

InChI

InChI=1S/C10H13N4O7PS.Ba/c15-6-4(1-20-22(17,18)19)21-10(7(6)16)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);