1,3-dimethyl-7-[11-(octylamino)-10-oxidanyl-undecyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[11-(octylamino)-10-oxidanyl-undecyl]purine-2,6-dione Openeye Name: 7-[10-hydroxy-11-(octylamino)undecyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[10-hydroxy-11-(octylamino)undecyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[10-hydroxy-11-(octylamino)undecyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[10-hydroxy-11-(octylamino)undecyl]-1,3-dimethyl-xanthine Formula: C26H47N5O3 MolecularWeight: 477.68308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCC(CCCCCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)O

Isomeric SMILES

CCCCCCCCNCC(CCCCCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)O

InChI

InChI=1S/C26H47N5O3/c1-4-5-6-7-12-15-18-27-20-22(32)17-14-11-9-8-10-13-16-19-31-21-28-24-23(31)25(33)30(3)26(34)29(24)2/h21-22,27,32H,4-20H2,1-3H3