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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(N=CN2CCCCC(CO)O)N(C1=O)C

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(N=CN2CCCCC(CO)O)N(C1=O)C

InChI

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