1,3-dimethyl-7-(6-oxidanylhexyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(6-oxidanylhexyl)purine-2,6-dione Openeye Name: 7-(6-hydroxyhexyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(6-hydroxyhexyl)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-(6-hydroxyhexyl)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(6-hydroxyhexyl)-1,3-dimethyl-xanthine Formula: C13H20N4O3 MolecularWeight: 280.3229

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCCO

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCCO

InChI

InChI=1S/C13H20N4O3/c1-15-11-10(12(19)16(2)13(15)20)17(9-14-11)7-5-3-4-6-8-18/h9,18H,3-8H2,1-2H3