1,3-dimethyl-7-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-8-nitro-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-8-nitro-purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(2-morpholino-2-oxo-ethyl)-8-nitro-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(4-morpholinyl)-2-oxoethyl]-8-nitropurine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(2-morpholin-4-yl-2-oxoethyl)-8-nitropurine-2,6-dione Traditional Name: 7-(2-keto-2-morpholino-ethyl)-1,3-dimethyl-8-nitro-xanthine Formula: C13H16N6O6 MolecularWeight: 352.30274

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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(=O)N3CCOCC3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])CC(=O)N3CCOCC3

InChI

InChI=1S/C13H16N6O6/c1-15-10-9(11(21)16(2)13(15)22)18(12(14-10)19(23)24)7-8(20)17-3-5-25-6-4-17/h3-7H2,1-2H3