1,3-dimethyl-7-[2-(6-oxidanylhexoxymethyl)-5-oxidanylidene-2H-pyran-6-yl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-(6-oxidanylhexoxymethyl)-5-oxidanylidene-2H-pyran-6-yl]purine-2,6-dione Openeye Name: 7-[2-(6-hydroxyhexoxymethyl)-5-oxo-2H-pyran-6-yl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-(6-hydroxyhexoxymethyl)-5-oxo-2H-pyran-6-yl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-(6-hydroxyhexoxymethyl)-5-oxo-2H-pyran-6-yl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(6-hydroxyhexoxymethyl)-5-keto-2H-pyran-6-yl]-1,3-dimethyl-xanthine Formula: C19H26N4O6 MolecularWeight: 406.43294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C3C(=O)C=CC(O3)COCCCCCCO

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C3C(=O)C=CC(O3)COCCCCCCO

InChI

InChI=1S/C19H26N4O6/c1-21-16-15(17(26)22(2)19(21)27)23(12-20-16)18-14(25)8-7-13(29-18)11-28-10-6-4-3-5-9-24/h7-8,12-13,18,24H,3-6,9-11H2,1-2H3