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

Systemtic Name: 7-[5,6-bis(oxidanyl)hexyl]-3-ethyl-1-pentyl-purine-2,6-dione Openeye Name: 7-(5,6-dihydroxyhexyl)-3-ethyl-1-pentyl-purine-2,6-dione CAS Name: 7-(5,6-dihydroxyhexyl)-3-ethyl-1-pentylpurine-2,6-dione IUPAC Name: 7-(5,6-dihydroxyhexyl)-3-ethyl-1-pentylpurine-2,6-dione Traditional Name: 1-amyl-7-(5,6-dihydroxyhexyl)-3-ethyl-xanthine Formula: C18H30N4O4 MolecularWeight: 366.4552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=CN2CCCCC(CO)O)N(C1=O)CC

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=CN2CCCCC(CO)O)N(C1=O)CC

InChI

InChI=1S/C18H30N4O4/c1-3-5-7-11-22-17(25)15-16(21(4-2)18(22)26)19-13-20(15)10-8-6-9-14(24)12-23/h13-14,23-24H,3-12H2,1-2H3