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

Systemtic Name: 1,3-dimethyl-7-(5-methyl-5-oxidanyl-hexyl)purine-2,6-dione Openeye Name: 7-(5-hydroxy-5-methyl-hexyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(5-hydroxy-5-methylhexyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(5-hydroxy-5-methylhexyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(5-hydroxy-5-methyl-hexyl)-1,3-dimethyl-xanthine Formula: C14H22N4O3 MolecularWeight: 294.34948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)O

Isomeric SMILES

CC(C)(CCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)O

InChI

InChI=1S/C14H22N4O3/c1-14(2,21)7-5-6-8-18-9-15-11-10(18)12(19)17(4)13(20)16(11)3/h9,21H,5-8H2,1-4H3