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

Systemtic Name: 7-[5,6-bis(oxidanyl)hexyl]-1-butyl-3-ethyl-purine-2,6-dione Openeye Name: 1-butyl-7-(5,6-dihydroxyhexyl)-3-ethyl-purine-2,6-dione CAS Name: 1-butyl-7-(5,6-dihydroxyhexyl)-3-ethylpurine-2,6-dione IUPAC Name: 1-butyl-7-(5,6-dihydroxyhexyl)-3-ethylpurine-2,6-dione Traditional Name: 1-butyl-7-(5,6-dihydroxyhexyl)-3-ethyl-xanthine Formula: C17H28N4O4 MolecularWeight: 352.42862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=CN2CCCCC(CO)O)N(C1=O)CC

Isomeric SMILES

CCCCN1C(=O)C2=C(N=CN2CCCCC(CO)O)N(C1=O)CC

InChI

InChI=1S/C17H28N4O4/c1-3-5-10-21-16(24)14-15(20(4-2)17(21)25)18-12-19(14)9-7-6-8-13(23)11-22/h12-13,22-23H,3-11H2,1-2H3