[[(5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphinothioyl] phosphono hydrogen phosphate

Systemtic Name: [[(5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphinothioyl] phosphono hydrogen phosphate Openeye Name: [[(5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-sulfanyl-phosphinothioyl] phosphono hydrogen phosphate CAS Name: [[(5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-oxolanyl]methoxy-mercaptophosphinothioyl] phosphono hydrogen phosphate IUPAC Name: [[(5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-sulfanylphosphinothioyl] phosphono hydrogen phosphate Traditional Name: [[(5R)-5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-mercapto-thiophosphoryl] phosphono hydrogen phosphate Formula: C10H16N5O11P3S2 MolecularWeight: 539.312223

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)COP(=S)(OP(=O)(O)OP(=O)(O)O)S)O

Isomeric SMILES

C1[C@@H](OC(C1O)COP(=S)(OP(=O)(O)OP(=O)(O)O)S)N2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C10H16N5O11P3S2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(24-6)2-23-29(30,31)26-28(21,22)25-27(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,30,31)(H2,18,19,20)(H3,11,13,14,17)/t4?,5?,6-/m1/s1