7-[5,6-bis(oxidanyl)hexyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[5,6-bis(oxidanyl)hexyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-(5,6-dihydroxyhexyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(5,6-dihydroxyhexyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(5,6-dihydroxyhexyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(5,6-dihydroxyhexyl)-1,3-dimethyl-xanthine Formula: C13H20N4O4 MolecularWeight: 296.3223

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCC(CO)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCC(CO)O

InChI

InChI=1S/C13H20N4O4/c1-15-11-10(12(20)16(2)13(15)21)17(8-14-11)6-4-3-5-9(19)7-18/h8-9,18-19H,3-7H2,1-2H3