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

Systemtic Name: 3,7-dimethyl-1-[10-oxidanyl-11-(pentadecylamino)undecyl]purine-2,6-dione Openeye Name: 1-[10-hydroxy-11-(pentadecylamino)undecyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[10-hydroxy-11-(pentadecylamino)undecyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[10-hydroxy-11-(pentadecylamino)undecyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[10-hydroxy-11-(pentadecylamino)undecyl]-3,7-dimethyl-xanthine Formula: C33H61N5O3 MolecularWeight: 575.86914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCNCC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCNCC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChI

InChI=1S/C33H61N5O3/c1-4-5-6-7-8-9-10-11-12-13-16-19-22-25-34-27-29(39)24-21-18-15-14-17-20-23-26-38-32(40)30-31(35-28-36(30)2)37(3)33(38)41/h28-29,34,39H,4-27H2,1-3H3