7-[4,5-bis(oxidanyl)hexyl]-3-ethyl-1-propyl-purine-2,6-dione

Systemtic Name: 7-[4,5-bis(oxidanyl)hexyl]-3-ethyl-1-propyl-purine-2,6-dione Openeye Name: 7-(4,5-dihydroxyhexyl)-3-ethyl-1-propyl-purine-2,6-dione CAS Name: 7-(4,5-dihydroxyhexyl)-3-ethyl-1-propylpurine-2,6-dione IUPAC Name: 7-(4,5-dihydroxyhexyl)-3-ethyl-1-propylpurine-2,6-dione Traditional Name: 7-(4,5-dihydroxyhexyl)-3-ethyl-1-propyl-xanthine Formula: C16H26N4O4 MolecularWeight: 338.40204

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=CN2CCCC(C(C)O)O)N(C1=O)CC

Isomeric SMILES

CCCN1C(=O)C2=C(N=CN2CCCC(C(C)O)O)N(C1=O)CC

InChI

InChI=1S/C16H26N4O4/c1-4-8-20-15(23)13-14(19(5-2)16(20)24)17-10-18(13)9-6-7-12(22)11(3)21/h10-12,21-22H,4-9H2,1-3H3