1-[6-(dodecylamino)-5-oxidanyl-hexyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[6-(dodecylamino)-5-oxidanyl-hexyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[6-(dodecylamino)-5-hydroxy-hexyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[6-(dodecylamino)-5-hydroxyhexyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[6-(dodecylamino)-5-hydroxyhexyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[5-hydroxy-6-(laurylamino)hexyl]-3,7-dimethyl-xanthine Formula: C25H45N5O3 MolecularWeight: 463.6565

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNCC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

Isomeric SMILES

CCCCCCCCCCCCNCC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChI

InChI=1S/C25H45N5O3/c1-4-5-6-7-8-9-10-11-12-14-17-26-19-21(31)16-13-15-18-30-24(32)22-23(27-20-28(22)2)29(3)25(30)33/h20-21,26,31H,4-19H2,1-3H3