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

Systemtic Name: 7-(3-methoxy-2-oxidanyl-propyl)-1,3-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 7-(2-hydroxy-3-methoxy-propyl)-1,3-dimethyl-8-nitro-purine-2,6-dione CAS Name: 7-(2-hydroxy-3-methoxypropyl)-1,3-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-methoxypropyl)-1,3-dimethyl-8-nitropurine-2,6-dione Traditional Name: 7-(2-hydroxy-3-methoxy-propyl)-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-])CC(COC)O

Isomeric SMILES

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

InChI

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