7-[6,7-bis(oxidanyl)heptyl]-3-ethyl-1-propyl-purine-2,6-dione

Systemtic Name: 7-[6,7-bis(oxidanyl)heptyl]-3-ethyl-1-propyl-purine-2,6-dione Openeye Name: 7-(6,7-dihydroxyheptyl)-3-ethyl-1-propyl-purine-2,6-dione CAS Name: 7-(6,7-dihydroxyheptyl)-3-ethyl-1-propylpurine-2,6-dione IUPAC Name: 7-(6,7-dihydroxyheptyl)-3-ethyl-1-propylpurine-2,6-dione Traditional Name: 7-(6,7-dihydroxyheptyl)-3-ethyl-1-propyl-xanthine Formula: C17H28N4O4 MolecularWeight: 352.42862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=CN2CCCCCC(CO)O)N(C1=O)CC

Isomeric SMILES

CCCN1C(=O)C2=C(N=CN2CCCCCC(CO)O)N(C1=O)CC

InChI

InChI=1S/C17H28N4O4/c1-3-9-21-16(24)14-15(20(4-2)17(21)25)18-12-19(14)10-7-5-6-8-13(23)11-22/h12-13,22-23H,3-11H2,1-2H3