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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

Isomeric SMILES

CC(C)(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChI

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