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

Systemtic Name: barium; [5-(6-methylsulfanylpurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: barium; [3,4-dihydroxy-5-(6-methylsulfanylpurin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: barium; [3,4-dihydroxy-5-[6-(methylthio)-9-purinyl]-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: barium; [3,4-dihydroxy-5-(6-methylsulfanylpurin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate Traditional Name: barium; [3,4-dihydroxy-5-[6-(methylthio)purin-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C11H15BaN4O7PS MolecularWeight: 515.625161

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=NC2=C1N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O.[Ba]

Isomeric SMILES

CSC1=NC=NC2=C1N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O.[Ba]

InChI

InChI=1S/C11H15N4O7PS.Ba/c1-24-10-6-9(12-3-13-10)15(4-14-6)11-8(17)7(16)5(22-11)2-21-23(18,19)20;/h3-5,7-8,11,16-17H,2H2,1H3,(H2,18,19,20);