3-methyl-8-(5-methyl-5-oxidanyl-hexyl)-7H-purine-2,6-dione

Systemtic Name: 3-methyl-8-(5-methyl-5-oxidanyl-hexyl)-7H-purine-2,6-dione Openeye Name: 8-(5-hydroxy-5-methyl-hexyl)-3-methyl-7H-purine-2,6-dione CAS Name: 8-(5-hydroxy-5-methylhexyl)-3-methyl-7H-purine-2,6-dione IUPAC Name: 8-(5-hydroxy-5-methylhexyl)-3-methyl-7H-purine-2,6-dione Traditional Name: 8-(5-hydroxy-5-methyl-hexyl)-3-methyl-7H-purine-2,6-quinone Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCC1=NC2=C(N1)C(=O)NC(=O)N2C)O

Isomeric SMILES

CC(C)(CCCCC1=NC2=C(N1)C(=O)NC(=O)N2C)O

InChI

InChI=1S/C13H20N4O3/c1-13(2,20)7-5-4-6-8-14-9-10(15-8)17(3)12(19)16-11(9)18/h20H,4-7H2,1-3H3,(H,14,15)(H,16,18,19)