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

Systemtic Name: 8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-7-hexadecyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-7-hexadecyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]-7-hexadecyl-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-7-hexadecyl-1,3-dimethylpurine-2,6-dione Traditional Name: 7-cetyl-8-[[4-(2-fluorophenyl)piperazino]methyl]-1,3-dimethyl-xanthine Formula: C34H53FN6O2 MolecularWeight: 596.822023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CCCCCCCCCCCCCCCCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CN3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C34H53FN6O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-41-30(36-32-31(41)33(42)38(3)34(43)37(32)2)27-39-23-25-40(26-24-39)29-21-18-17-20-28(29)35/h17-18,20-21H,4-16,19,22-27H2,1-3H3