trisodium [[5-(6-azanyl-2-methyl-purin-9-yl)-4-oxidanyl-2-(sulfanylmethyl)oxolan-3-yl]oxy-oxidanidyl-phosphoryl] phosphate

Systemtic Name: trisodium [[5-(6-azanyl-2-methyl-purin-9-yl)-4-oxidanyl-2-(sulfanylmethyl)oxolan-3-yl]oxy-oxidanidyl-phosphoryl] phosphate Openeye Name: trisodium [[5-(6-amino-2-methyl-purin-9-yl)-4-hydroxy-2-(sulfanylmethyl)tetrahydrofuran-3-yl]oxy-oxido-phosphoryl] phosphate CAS Name: trisodium [[5-(6-amino-2-methyl-9-purinyl)-4-hydroxy-2-(mercaptomethyl)-3-oxolanyl]oxy-oxidophosphoryl] phosphate IUPAC Name: trisodium [[5-(6-amino-2-methylpurin-9-yl)-4-hydroxy-2-(sulfanylmethyl)oxolan-3-yl]oxy-oxidophosphoryl] phosphate Traditional Name: trisodium [[5-(6-amino-2-methyl-purin-9-yl)-4-hydroxy-2-(mercaptomethyl)tetrahydrofuran-3-yl]oxy-oxido-phosphoryl] phosphate Formula: C11H14N5Na3O9P2S MolecularWeight: 523.238792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CS)OP(=O)([O-])OP(=O)([O-])[O-])O.[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CS)OP(=O)([O-])OP(=O)([O-])[O-])O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C11H17N5O9P2S.3Na/c1-4-14-9(12)6-10(15-4)16(3-13-6)11-7(17)8(5(2-28)23-11)24-27(21,22)25-26(18,19)20;;;/h3,5,7-8,11,17,28H,2H2,1H3,(H,21,22)(H2,12,14,15)(H2,18,19,20);;;/q;3*+1/p-3