1,3-dimethyl-7-[2-oxidanyl-3-(5-oxidanylidene-2H-1,2,4-oxadiazol-3-yl)propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-oxidanyl-3-(5-oxidanylidene-2H-1,2,4-oxadiazol-3-yl)propyl]purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(5-oxo-2H-1,2,4-oxadiazol-3-yl)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(5-oxo-2H-1,2,4-oxadiazol-3-yl)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(5-oxo-2H-1,2,4-oxadiazol-3-yl)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(5-keto-2H-1,2,4-oxadiazol-3-yl)propyl]-1,3-dimethyl-xanthine Formula: C12H14N6O5 MolecularWeight: 322.27676

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CC3=NC(=O)ON3)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CC3=NC(=O)ON3)O

InChI

InChI=1S/C12H14N6O5/c1-16-9-8(10(20)17(2)12(16)22)18(5-13-9)4-6(19)3-7-14-11(21)23-15-7/h5-6,19H,3-4H2,1-2H3,(H,14,15,21)