7-[3,4-bis(oxidanyl)butyl]-1,3-dimethyl-8-nitro-purine-2,6-dione

Systemtic Name: 7-[3,4-bis(oxidanyl)butyl]-1,3-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 7-(3,4-dihydroxybutyl)-1,3-dimethyl-8-nitro-purine-2,6-dione CAS Name: 7-(3,4-dihydroxybutyl)-1,3-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 7-(3,4-dihydroxybutyl)-1,3-dimethyl-8-nitropurine-2,6-dione Traditional Name: 7-(3,4-dihydroxybutyl)-1,3-dimethyl-8-nitro-xanthine Formula: C11H15N5O6 MolecularWeight: 313.2667

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N5O6/c1-13-8-7(9(19)14(2)11(13)20)15(4-3-6(18)5-17)10(12-8)16(21)22/h6,17-18H,3-5H2,1-2H3