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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)NC1=O)N(C=N2)CCCCC(C)(C)O

Isomeric SMILES

CCN1C2=C(C(=O)NC1=O)N(C=N2)CCCCC(C)(C)O

InChI

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