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

Systemtic Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[[4-(phenylmethyl)piperazin-1-yl]methyl]purine-2,6-dione Openeye Name: 8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-fluorophenyl)methyl]-1,3-dimethyl-8-[[4-(phenylmethyl)-1-piperazinyl]methyl]purine-2,6-dione IUPAC Name: 8-[(4-benzylpiperazin-1-yl)methyl]-7-[(2-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(4-benzylpiperazino)methyl]-7-(2-fluorobenzyl)-1,3-dimethyl-xanthine Formula: C26H29FN6O2 MolecularWeight: 476.545863

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)CC4=CC=CC=C4)CC5=CC=CC=C5F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)CC4=CC=CC=C4)CC5=CC=CC=C5F

InChI

InChI=1S/C26H29FN6O2/c1-29-24-23(25(34)30(2)26(29)35)33(17-20-10-6-7-11-21(20)27)22(28-24)18-32-14-12-31(13-15-32)16-19-8-4-3-5-9-19/h3-11H,12-18H2,1-2H3