8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-octadecyl-purine-2,6-dione

Systemtic Name: 8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-octadecyl-purine-2,6-dione Openeye Name: 8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-octadecyl-purine-2,6-dione CAS Name: 8-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]-1,3-dimethyl-7-octadecylpurine-2,6-dione IUPAC Name: 8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-octadecylpurine-2,6-dione Traditional Name: 8-[[4-(2-fluorophenyl)piperazino]methyl]-1,3-dimethyl-7-stearyl-xanthine Formula: C36H57FN6O2 MolecularWeight: 624.875183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C36H57FN6O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-43-32(38-34-33(43)35(44)40(3)36(45)39(34)2)29-41-25-27-42(28-26-41)31-23-20-19-22-30(31)37/h19-20,22-23H,4-18,21,24-29H2,1-3H3