7-[3,4-bis(oxidanyl)butyl]-3-methyl-1-(5-methyl-5-oxidanyl-hexyl)purine-2,6-dione

Systemtic Name: 7-[3,4-bis(oxidanyl)butyl]-3-methyl-1-(5-methyl-5-oxidanyl-hexyl)purine-2,6-dione Openeye Name: 7-(3,4-dihydroxybutyl)-1-(5-hydroxy-5-methyl-hexyl)-3-methyl-purine-2,6-dione CAS Name: 7-(3,4-dihydroxybutyl)-1-(5-hydroxy-5-methylhexyl)-3-methylpurine-2,6-dione IUPAC Name: 7-(3,4-dihydroxybutyl)-1-(5-hydroxy-5-methylhexyl)-3-methylpurine-2,6-dione Traditional Name: 7-(3,4-dihydroxybutyl)-1-(5-hydroxy-5-methyl-hexyl)-3-methyl-xanthine Formula: C17H28N4O5 MolecularWeight: 368.42802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCN1C(=O)C2=C(N=CN2CCC(CO)O)N(C1=O)C)O

Isomeric SMILES

CC(C)(CCCCN1C(=O)C2=C(N=CN2CCC(CO)O)N(C1=O)C)O

InChI

InChI=1S/C17H28N4O5/c1-17(2,26)7-4-5-8-21-15(24)13-14(19(3)16(21)25)18-11-20(13)9-6-12(23)10-22/h11-12,22-23,26H,4-10H2,1-3H3