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

Systemtic Name: 3-methyl-1-(5-methyl-5-oxidanyl-hexyl)-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-1-(5-hydroxy-5-methyl-hexyl)-3-methyl-purine-2,6-dione CAS Name: 1-(5-hydroxy-5-methylhexyl)-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 1-(5-hydroxy-5-methylhexyl)-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-1-(5-hydroxy-5-methyl-hexyl)-3-methyl-xanthine Formula: C16H24N4O3 MolecularWeight: 320.38676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCN1C(=O)C2=C(N=CN2CC=C)N(C1=O)C)O

Isomeric SMILES

CC(C)(CCCCN1C(=O)C2=C(N=CN2CC=C)N(C1=O)C)O

InChI

InChI=1S/C16H24N4O3/c1-5-9-19-11-17-13-12(19)14(21)20(15(22)18(13)4)10-7-6-8-16(2,3)23/h5,11,23H,1,6-10H2,2-4H3