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

Systemtic Name: 8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-phenacyl-purine-2,6-dione Openeye Name: 8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-phenacyl-purine-2,6-dione CAS Name: 8-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]-1,3-dimethyl-7-phenacylpurine-2,6-dione IUPAC Name: 8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-phenacylpurine-2,6-dione Traditional Name: 8-[[4-(2-fluorophenyl)piperazino]methyl]-1,3-dimethyl-7-phenacyl-xanthine Formula: C26H27FN6O3 MolecularWeight: 490.529383

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4F)CC(=O)C5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4F)CC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H27FN6O3/c1-29-24-23(25(35)30(2)26(29)36)33(16-21(34)18-8-4-3-5-9-18)22(28-24)17-31-12-14-32(15-13-31)20-11-7-6-10-19(20)27/h3-11H,12-17H2,1-2H3