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

Systemtic Name: 7-[5,6-bis(oxidanyl)hexyl]-3-methyl-1-(5-oxidanylidenehexyl)purine-2,6-dione Openeye Name: 7-(5,6-dihydroxyhexyl)-3-methyl-1-(5-oxohexyl)purine-2,6-dione CAS Name: 7-(5,6-dihydroxyhexyl)-3-methyl-1-(5-oxohexyl)purine-2,6-dione IUPAC Name: 7-(5,6-dihydroxyhexyl)-3-methyl-1-(5-oxohexyl)purine-2,6-dione Traditional Name: 7-(5,6-dihydroxyhexyl)-1-(5-ketohexyl)-3-methyl-xanthine Formula: C18H28N4O5 MolecularWeight: 380.43872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCN1C(=O)C2=C(N=CN2CCCCC(CO)O)N(C1=O)C

Isomeric SMILES

CC(=O)CCCCN1C(=O)C2=C(N=CN2CCCCC(CO)O)N(C1=O)C

InChI

InChI=1S/C18H28N4O5/c1-13(24)7-3-6-10-22-17(26)15-16(20(2)18(22)27)19-12-21(15)9-5-4-8-14(25)11-23/h12,14,23,25H,3-11H2,1-2H3