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

Systemtic Name: 7-[5,6-bis(oxidanyl)hexyl]-1-methyl-3-propyl-purine-2,6-dione Openeye Name: 7-(5,6-dihydroxyhexyl)-1-methyl-3-propyl-purine-2,6-dione CAS Name: 7-(5,6-dihydroxyhexyl)-1-methyl-3-propylpurine-2,6-dione IUPAC Name: 7-(5,6-dihydroxyhexyl)-1-methyl-3-propylpurine-2,6-dione Traditional Name: 7-(5,6-dihydroxyhexyl)-1-methyl-3-propyl-xanthine Formula: C15H24N4O4 MolecularWeight: 324.37546

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCC(CO)O

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCC(CO)O

InChI

InChI=1S/C15H24N4O4/c1-3-7-19-13-12(14(22)17(2)15(19)23)18(10-16-13)8-5-4-6-11(21)9-20/h10-11,20-21H,3-9H2,1-2H3