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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1N=C(C(C(=N1)OC)(CC(CO)O)[N+](=O)[O-])OC

Isomeric SMILES

CC(=O)CC1N=C(C(C(=N1)OC)(CC(CO)O)[N+](=O)[O-])OC

InChI

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