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

Systemtic Name: 3-methyl-1-(5-methyl-5-oxidanyl-hexyl)-7-(2-methyl-2-oxidanyl-propyl)purine-2,6-dione Openeye Name: 1-(5-hydroxy-5-methyl-hexyl)-7-(2-hydroxy-2-methyl-propyl)-3-methyl-purine-2,6-dione CAS Name: 1-(5-hydroxy-5-methylhexyl)-7-(2-hydroxy-2-methylpropyl)-3-methylpurine-2,6-dione IUPAC Name: 1-(5-hydroxy-5-methylhexyl)-7-(2-hydroxy-2-methylpropyl)-3-methylpurine-2,6-dione Traditional Name: 1-(5-hydroxy-5-methyl-hexyl)-7-(2-hydroxy-2-methyl-propyl)-3-methyl-xanthine Formula: C17H28N4O4 MolecularWeight: 352.42862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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