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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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