[[3-[(2S,3R,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-2-(5-oxidanylideneimidazo[1,2-c]pyrimidin-6-yl)oxy-oxolan-3-yl]-5-nitro-phenoxy]-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[3-[(2S,3R,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-2-(5-oxidanylideneimidazo[1,2-c]pyrimidin-6-yl)oxy-oxolan-3-yl]-5-nitro-phenoxy]-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(5-oxoimidazo[1,2-c]pyrimidin-6-yl)oxy-tetrahydrofuran-3-yl]-5-nitro-phenoxy]-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(5-oxo-6-imidazo[1,2-c]pyrimidinyl)oxy]-3-oxolanyl]-5-nitrophenoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[3-[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(5-oxoimidazo[1,2-c]pyrimidin-6-yl)oxyoxolan-3-yl]-5-nitrophenoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[3-[(2S,3R,4R,5R)-3,4-dihydroxy-2-(5-ketoimidazo[1,2-c]pyrimidin-6-yl)oxy-5-methylol-tetrahydrofuran-3-yl]-5-nitro-phenoxy]-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C17H19N4O18P3 MolecularWeight: 660.270043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N2C1=NC=C2)OC3C(C(C(O3)CO)O)(C4=CC(=CC(=C4)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[N+](=O)[O-])O

Isomeric SMILES

C1=CN(C(=O)N2C1=NC=C2)O[C@H]3[C@]([C@@H]([C@H](O3)CO)O)(C4=CC(=CC(=C4)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)[N+](=O)[O-])O

InChI

InChI=1S/C17H19N4O18P3/c22-8-12-14(23)17(25,15(35-12)36-20-3-1-13-18-2-4-19(13)16(20)24)9-5-10(21(26)27)7-11(6-9)37-41(31,32)39-42(33,34)38-40(28,29)30/h1-7,12,14-15,22-23,25H,8H2,(H,31,32)(H,33,34)(H2,28,29,30)/t12-,14-,15+,17-/m1/s1