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

Systemtic Name: 7-[5,6-bis(oxidanyl)hexyl]-3-ethyl-1-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 1-acetonyl-7-(5,6-dihydroxyhexyl)-3-ethyl-purine-2,6-dione CAS Name: 7-(5,6-dihydroxyhexyl)-3-ethyl-1-(2-oxopropyl)purine-2,6-dione IUPAC Name: 7-(5,6-dihydroxyhexyl)-3-ethyl-1-(2-oxopropyl)purine-2,6-dione Traditional Name: 1-acetonyl-7-(5,6-dihydroxyhexyl)-3-ethyl-xanthine Formula: C16H24N4O5 MolecularWeight: 352.38556

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC(=O)C)N(C=N2)CCCCC(CO)O

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC(=O)C)N(C=N2)CCCCC(CO)O

InChI

InChI=1S/C16H24N4O5/c1-3-19-14-13(15(24)20(16(19)25)8-11(2)22)18(10-17-14)7-5-4-6-12(23)9-21/h10,12,21,23H,3-9H2,1-2H3