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

Systemtic Name: 8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-methyl-purine-2,6-dione CAS Name: 8-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-[[4-(2-fluorophenyl)piperazino]methyl]-3-methyl-xanthine Formula: C24H25FN6O2 MolecularWeight: 448.492703

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4F)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCN(CC3)C4=CC=CC=C4F)CC5=CC=CC=C5

InChI

InChI=1S/C24H25FN6O2/c1-28-22-21(23(32)27-24(28)33)31(15-17-7-3-2-4-8-17)20(26-22)16-29-11-13-30(14-12-29)19-10-6-5-9-18(19)25/h2-10H,11-16H2,1H3,(H,27,32,33)