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

Systemtic Name: 3,7-diethyl-1-(5-methyl-5-oxidanyl-hexyl)purine-2,6-dione Openeye Name: 3,7-diethyl-1-(5-hydroxy-5-methyl-hexyl)purine-2,6-dione CAS Name: 3,7-diethyl-1-(5-hydroxy-5-methylhexyl)purine-2,6-dione IUPAC Name: 3,7-diethyl-1-(5-hydroxy-5-methylhexyl)purine-2,6-dione Traditional Name: 3,7-diethyl-1-(5-hydroxy-5-methyl-hexyl)xanthine Formula: C16H26N4O3 MolecularWeight: 322.40264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCCCC(C)(C)O

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCCCC(C)(C)O

InChI

InChI=1S/C16H26N4O3/c1-5-18-11-17-13-12(18)14(21)20(15(22)19(13)6-2)10-8-7-9-16(3,4)23/h11,23H,5-10H2,1-4H3