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

Systemtic Name: 7-[5,6-bis(oxidanyl)hexyl]-3-ethyl-1-propan-2-yl-purine-2,6-dione Openeye Name: 7-(5,6-dihydroxyhexyl)-3-ethyl-1-isopropyl-purine-2,6-dione CAS Name: 7-(5,6-dihydroxyhexyl)-3-ethyl-1-propan-2-ylpurine-2,6-dione IUPAC Name: 7-(5,6-dihydroxyhexyl)-3-ethyl-1-propan-2-ylpurine-2,6-dione Traditional Name: 7-(5,6-dihydroxyhexyl)-3-ethyl-1-isopropyl-xanthine Formula: C16H26N4O4 MolecularWeight: 338.40204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N4O4/c1-4-19-14-13(15(23)20(11(2)3)16(19)24)18(10-17-14)8-6-5-7-12(22)9-21/h10-12,21-22H,4-9H2,1-3H3