[(2S,3S,5R)-2-(chloromethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] (4-nitrophenyl) hydrogen phosphate

Systemtic Name: [(2S,3S,5R)-2-(chloromethyl)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-3-yl] (4-nitrophenyl) hydrogen phosphate Openeye Name: [(2S,3S,5R)-2-(chloromethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] (4-nitrophenyl) hydrogen phosphate CAS Name: [(2S,3S,5R)-2-(chloromethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxolanyl] (4-nitrophenyl) hydrogen phosphate IUPAC Name: [(2S,3S,5R)-2-(chloromethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] (4-nitrophenyl) hydrogen phosphate Traditional Name: [(2S,3S,5R)-2-(chloromethyl)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-3-yl] (4-nitrophenyl) hydrogen phosphate Formula: C16H17ClN3O9P MolecularWeight: 461.747641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CCl)OP(=O)(O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CCl)OP(=O)(O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17ClN3O9P/c1-9-8-19(16(22)18-15(9)21)14-6-12(13(7-17)27-14)29-30(25,26)28-11-4-2-10(3-5-11)20(23)24/h2-5,8,12-14H,6-7H2,1H3,(H,25,26)(H,18,21,22)/t12-,13+,14+/m0/s1