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

Systemtic Name: 3-methyl-7-(5-methyl-5-oxidanyl-hexyl)purine-2,6-dione Openeye Name: 7-(5-hydroxy-5-methyl-hexyl)-3-methyl-purine-2,6-dione CAS Name: 7-(5-hydroxy-5-methylhexyl)-3-methylpurine-2,6-dione IUPAC Name: 7-(5-hydroxy-5-methylhexyl)-3-methylpurine-2,6-dione Traditional Name: 7-(5-hydroxy-5-methyl-hexyl)-3-methyl-xanthine Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O3/c1-13(2,20)6-4-5-7-17-8-14-10-9(17)11(18)15-12(19)16(10)3/h8,20H,4-7H2,1-3H3,(H,15,18,19)