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

Systemtic Name: 7-[5,6-bis(oxidanyl)hexyl]-3-ethyl-1-methyl-purine-2,6-dione Openeye Name: 7-(5,6-dihydroxyhexyl)-3-ethyl-1-methyl-purine-2,6-dione CAS Name: 7-(5,6-dihydroxyhexyl)-3-ethyl-1-methylpurine-2,6-dione IUPAC Name: 7-(5,6-dihydroxyhexyl)-3-ethyl-1-methylpurine-2,6-dione Traditional Name: 7-(5,6-dihydroxyhexyl)-3-ethyl-1-methyl-xanthine Formula: C14H22N4O4 MolecularWeight: 310.34888

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCC(CO)O

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCC(CO)O

InChI

InChI=1S/C14H22N4O4/c1-3-18-12-11(13(21)16(2)14(18)22)17(9-15-12)7-5-4-6-10(20)8-19/h9-10,19-20H,3-8H2,1-2H3