[[[(5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-sulfanidyl-phosphinothioyl]oxy-oxidanidyl-phosphoryl] phosphate

Systemtic Name: [[[(5R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-oxolan-2-yl]methoxy-sulfanidyl-phosphinothioyl]oxy-oxidanidyl-phosphoryl] phosphate Openeye Name: [[[(5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-sulfido-phosphinothioyl]oxy-oxido-phosphoryl] phosphate CAS Name: [[[(5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-2-oxolanyl]methoxy-sulfidophosphinothioyl]oxy-oxidophosphoryl] phosphate IUPAC Name: [[[(5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-sulfidophosphinothioyl]oxy-oxidophosphoryl] phosphate Traditional Name: [[[(5R)-5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-sulfido-thiophosphoryl]oxy-oxido-phosphoryl] phosphate Formula: C10H12N5O11P3S2-4 MolecularWeight: 535.280463

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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)/p-4/t4?,5?,6-/m1/s1