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

Systemtic Name: 7-[5,6-bis(oxidanyl)hexyl]-1,3-diethyl-purine-2,6-dione hydrate Openeye Name: 7-(5,6-dihydroxyhexyl)-1,3-diethyl-purine-2,6-dione hydrate CAS Name: 7-(5,6-dihydroxyhexyl)-1,3-diethylpurine-2,6-dione hydrate IUPAC Name: 7-(5,6-dihydroxyhexyl)-1,3-diethylpurine-2,6-dione hydrate Traditional Name: 7-(5,6-dihydroxyhexyl)-1,3-diethyl-xanthine hydrate Formula: C15H26N4O5 MolecularWeight: 342.39074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24N4O4.H2O/c1-3-18-13-12(14(22)19(4-2)15(18)23)17(10-16-13)8-6-5-7-11(21)9-20;/h10-11,20-21H,3-9H2,1-2H3;1H2