[[1-[(2S,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-(2-nitrophenyl)propoxy]-oxidanyl-phosphoryl] phosphono hydrogen phosphate

Systemtic Name: [[1-[(2S,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-(2-nitrophenyl)propoxy]-oxidanyl-phosphoryl] phosphono hydrogen phosphate Openeye Name: [[1-[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-(2-nitrophenyl)propoxy]-hydroxy-phosphoryl] phosphono hydrogen phosphate CAS Name: [[1-[(2S,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]-2-(2-nitrophenyl)propoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate IUPAC Name: [[1-[(2S,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-2-(2-nitrophenyl)propoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate Traditional Name: [[1-[(2S,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-(2-nitrophenyl)propoxy]-hydroxy-phosphoryl] phosphono hydrogen phosphate Formula: C17H23N4O16P3 MolecularWeight: 632.303003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N4O16P3/c1-8(9-4-2-3-5-10(9)21(25)26)14(35-39(30,31)37-40(32,33)36-38(27,28)29)15-12(22)13(23)16(34-15)20-7-6-11(18)19-17(20)24/h2-8,12-16,22-23H,1H3,(H,30,31)(H,32,33)(H2,18,19,24)(H2,27,28,29)/t8?,12-,13+,14?,15-,16+/m0/s1