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

Systemtic Name: 7-[2,3-bis(oxidanyl)propyl]-3-methyl-1-(5-methyl-5-oxidanyl-hexyl)purine-2,6-dione Openeye Name: 7-(2,3-dihydroxypropyl)-1-(5-hydroxy-5-methyl-hexyl)-3-methyl-purine-2,6-dione CAS Name: 7-(2,3-dihydroxypropyl)-1-(5-hydroxy-5-methylhexyl)-3-methylpurine-2,6-dione IUPAC Name: 7-(2,3-dihydroxypropyl)-1-(5-hydroxy-5-methylhexyl)-3-methylpurine-2,6-dione Traditional Name: 7-glyceryl-1-(5-hydroxy-5-methyl-hexyl)-3-methyl-xanthine Formula: C16H26N4O5 MolecularWeight: 354.40144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCN1C(=O)C2=C(N=CN2CC(CO)O)N(C1=O)C)O

Isomeric SMILES

CC(C)(CCCCN1C(=O)C2=C(N=CN2CC(CO)O)N(C1=O)C)O

InChI

InChI=1S/C16H26N4O5/c1-16(2,25)6-4-5-7-20-14(23)12-13(18(3)15(20)24)17-10-19(12)8-11(22)9-21/h10-11,21-22,25H,4-9H2,1-3H3