1-[3-[2,3-bis(oxidanyl)propyl]-2,6-dimethoxy-5-nitro-4H-pyrimidin-4-yl]propan-2-one

Systemtic Name: 1-[3-[2,3-bis(oxidanyl)propyl]-2,6-dimethoxy-5-nitro-4H-pyrimidin-4-yl]propan-2-one Openeye Name: 1-[3-(2,3-dihydroxypropyl)-2,6-dimethoxy-5-nitro-4H-pyrimidin-4-yl]propan-2-one CAS Name: 1-[3-(2,3-dihydroxypropyl)-2,6-dimethoxy-5-nitro-4H-pyrimidin-4-yl]-2-propanone IUPAC Name: 1-[3-(2,3-dihydroxypropyl)-2,6-dimethoxy-5-nitro-4H-pyrimidin-4-yl]propan-2-one Traditional Name: 1-(3-glyceryl-2,6-dimethoxy-5-nitro-4H-pyrimidin-4-yl)acetone Formula: C12H19N3O7 MolecularWeight: 317.29516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1C(=C(N=C(N1CC(CO)O)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)CC1C(=C(N=C(N1CC(CO)O)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H19N3O7/c1-7(17)4-9-10(15(19)20)11(21-2)13-12(22-3)14(9)5-8(18)6-16/h8-9,16,18H,4-6H2,1-3H3