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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(CO)O

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(CO)O

InChI

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