[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-[bis(oxidanidyl)phosphinothioyloxymethyl]-4-oxidanyl-oxolan-3-yl] phosphate

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-[bis(oxidanidyl)phosphinothioyloxymethyl]-4-oxidanyl-oxolan-3-yl] phosphate Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-2-(dioxidophosphinothioyloxymethyl)-4-hydroxy-tetrahydrofuran-3-yl] phosphate CAS Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-2-(dioxidophosphinothioyloxymethyl)-4-hydroxy-3-oxolanyl] phosphate IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-2-(dioxidophosphinothioyloxymethyl)-4-hydroxyoxolan-3-yl] phosphate Traditional Name: [5-(2-amino-6-keto-3H-purin-9-yl)-2-(dioxidothiophosphoryloxymethyl)-4-hydroxy-tetrahydrofuran-3-yl] phosphate Formula: C10H11N5O10P2S-4 MolecularWeight: 455.234362

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)COP(=S)([O-])[O-])OP(=O)([O-])[O-])O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1C3C(C(C(O3)COP(=S)([O-])[O-])OP(=O)([O-])[O-])O)NC(=NC2=O)N

InChI

InChI=1S/C10H15N5O10P2S/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(25-26(18,19)20)3(24-9)1-23-27(21,22)28/h2-3,5-6,9,16H,1H2,(H2,18,19,20)(H2,21,22,28)(H3,11,13,14,17)/p-4