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

Systemtic Name: 7-[5,6-bis(oxidanyl)hexyl]-3-ethyl-1-(2-methylpropyl)purine-2,6-dione Openeye Name: 7-(5,6-dihydroxyhexyl)-3-ethyl-1-isobutyl-purine-2,6-dione CAS Name: 7-(5,6-dihydroxyhexyl)-3-ethyl-1-(2-methylpropyl)purine-2,6-dione IUPAC Name: 7-(5,6-dihydroxyhexyl)-3-ethyl-1-(2-methylpropyl)purine-2,6-dione Traditional Name: 7-(5,6-dihydroxyhexyl)-3-ethyl-1-isobutyl-xanthine Formula: C17H28N4O4 MolecularWeight: 352.42862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O4/c1-4-20-15-14(16(24)21(17(20)25)9-12(2)3)19(11-18-15)8-6-5-7-13(23)10-22/h11-13,22-23H,4-10H2,1-3H3