7-[2,3-bis(oxidanyl)propyl]-1,3-dimethyl-8-nitro-purine-2,6-dione

Systemtic Name: 7-[2,3-bis(oxidanyl)propyl]-1,3-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-nitro-purine-2,6-dione CAS Name: 7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-nitropurine-2,6-dione Traditional Name: 7-glyceryl-1,3-dimethyl-8-nitro-xanthine Formula: C10H13N5O6 MolecularWeight: 299.24012

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])CC(CO)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])CC(CO)O

InChI

InChI=1S/C10H13N5O6/c1-12-7-6(8(18)13(2)10(12)19)14(3-5(17)4-16)9(11-7)15(20)21/h5,16-17H,3-4H2,1-2H3