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

Systemtic Name: 8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-octyl-purine-2,6-dione Openeye Name: 8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-octyl-purine-2,6-dione CAS Name: 8-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]-1,3-dimethyl-7-octylpurine-2,6-dione IUPAC Name: 8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-octylpurine-2,6-dione Traditional Name: 8-[[4-(2-fluorophenyl)piperazino]methyl]-1,3-dimethyl-7-octyl-xanthine Formula: C26H37FN6O2 MolecularWeight: 484.609383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C26H37FN6O2/c1-4-5-6-7-8-11-14-33-22(28-24-23(33)25(34)30(3)26(35)29(24)2)19-31-15-17-32(18-16-31)21-13-10-9-12-20(21)27/h9-10,12-13H,4-8,11,14-19H2,1-3H3