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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCCCC(CO)O

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCCCC(CO)O

InChI

InChI=1S/C16H26N4O4/c1-3-8-18-11-17-14-13(18)15(23)20(16(24)19(14)4-2)9-6-5-7-12(22)10-21/h11-12,21-22H,3-10H2,1-2H3