[[(2S,4R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-azido-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[(2S,4R)-5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-azido-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[(2S,4R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-azido-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[(2S,4R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-azido-4-hydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[(2S,4R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-azido-4-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[(2S,4R)-5-(2-amino-6-keto-3H-purin-9-yl)-3-azido-4-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C10H15N8O13P3 MolecularWeight: 548.193183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=NC2=C(N1C3[C@@H](C([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N=[N+]=[N-])O)NC(=NC2=O)N

InChI

InChI=1S/C10H15N8O13P3/c11-10-14-7-5(8(20)15-10)13-2-18(7)9-6(19)4(16-17-12)3(29-9)1-28-33(24,25)31-34(26,27)30-32(21,22)23/h2-4,6,9,19H,1H2,(H,24,25)(H,26,27)(H2,21,22,23)(H3,11,14,15,20)/t3-,4?,6-,9?/m1/s1