[(4-azido-2-nitro-phenyl)-[(2S,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl] phosphono hydrogen phosphate

Systemtic Name: [(4-azido-2-nitro-phenyl)-[(2S,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl] phosphono hydrogen phosphate Openeye Name: [(4-azido-2-nitro-phenyl)-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl] phosphono hydrogen phosphate CAS Name: [(4-azido-2-nitrophenyl)-[(2S,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl] phosphono hydrogen phosphate IUPAC Name: [(4-azido-2-nitrophenyl)-[(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl] phosphono hydrogen phosphate Traditional Name: [(4-azido-2-nitro-phenyl)-[(2S,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl] phosphono hydrogen phosphate Formula: C15H16N6O14P2 MolecularWeight: 566.266862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N=[N+]=[N-])[N+](=O)[O-])C(C2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)OP(=O)(O)OP(=O)(O)O

Isomeric SMILES

C1=CC(=C(C=C1N=[N+]=[N-])[N+](=O)[O-])C([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)OP(=O)(O)OP(=O)(O)O

InChI

InChI=1S/C15H16N6O14P2/c16-19-18-6-1-2-7(8(5-6)21(26)27)12(34-37(31,32)35-36(28,29)30)13-10(23)11(24)14(33-13)20-4-3-9(22)17-15(20)25/h1-5,10-14,23-24H,(H,31,32)(H,17,22,25)(H2,28,29,30)/t10-,11+,12?,13-,14+/m0/s1