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

Systemtic Name: 7-(2-methoxyethyl)-3-methyl-1-(5-methyl-5-oxidanyl-hexyl)purine-2,6-dione Openeye Name: 1-(5-hydroxy-5-methyl-hexyl)-7-(2-methoxyethyl)-3-methyl-purine-2,6-dione CAS Name: 1-(5-hydroxy-5-methylhexyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione IUPAC Name: 1-(5-hydroxy-5-methylhexyl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione Traditional Name: 1-(5-hydroxy-5-methyl-hexyl)-7-(2-methoxyethyl)-3-methyl-xanthine Formula: C16H26N4O4 MolecularWeight: 338.40204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCN1C(=O)C2=C(N=CN2CCOC)N(C1=O)C)O

Isomeric SMILES

CC(C)(CCCCN1C(=O)C2=C(N=CN2CCOC)N(C1=O)C)O

InChI

InChI=1S/C16H26N4O4/c1-16(2,23)7-5-6-8-20-14(21)12-13(18(3)15(20)22)17-11-19(12)9-10-24-4/h11,23H,5-10H2,1-4H3