1-[11-[[2-azanyl-3-(1H-indol-3-yl)propyl]amino]undecyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[11-[[2-azanyl-3-(1H-indol-3-yl)propyl]amino]undecyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[11-[[2-amino-3-(1H-indol-3-yl)propyl]amino]undecyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[11-[[2-amino-3-(1H-indol-3-yl)propyl]amino]undecyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[11-[[2-amino-3-(1H-indol-3-yl)propyl]amino]undecyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[11-[[2-amino-3-(1H-indol-3-yl)propyl]amino]undecyl]-3,7-dimethyl-xanthine Formula: C29H43N7O2 MolecularWeight: 521.69742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCCCNCC(CC3=CNC4=CC=CC=C43)N

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCCCCCCNCC(CC3=CNC4=CC=CC=C43)N

InChI

InChI=1S/C29H43N7O2/c1-34-21-33-27-26(34)28(37)36(29(38)35(27)2)17-13-9-7-5-3-4-6-8-12-16-31-20-23(30)18-22-19-32-25-15-11-10-14-24(22)25/h10-11,14-15,19,21,23,31-32H,3-9,12-13,16-18,20,30H2,1-2H3