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

Systemtic Name: 7-[5,6-bis(oxidanyl)hexyl]-1-(5-oxidanylidenehexyl)-3-propyl-purine-2,6-dione Openeye Name: 7-(5,6-dihydroxyhexyl)-1-(5-oxohexyl)-3-propyl-purine-2,6-dione CAS Name: 7-(5,6-dihydroxyhexyl)-1-(5-oxohexyl)-3-propylpurine-2,6-dione IUPAC Name: 7-(5,6-dihydroxyhexyl)-1-(5-oxohexyl)-3-propylpurine-2,6-dione Traditional Name: 7-(5,6-dihydroxyhexyl)-1-(5-ketohexyl)-3-propyl-xanthine Formula: C20H32N4O5 MolecularWeight: 408.49188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N4O5/c1-3-10-23-18-17(22(14-21-18)11-6-5-9-16(27)13-25)19(28)24(20(23)29)12-7-4-8-15(2)26/h14,16,25,27H,3-13H2,1-2H3