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

Systemtic Name: 8-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-7-[(2-fluorophenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-7-[(2-fluorophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-7-[(2-fluorophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-[4-(3-chlorobenzyl)piperazino]-7-(2-fluorobenzyl)-3-methyl-xanthine Formula: C24H24ClFN6O2 MolecularWeight: 482.937763

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC4=CC(=CC=C4)Cl)CC5=CC=CC=C5F

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)CC4=CC(=CC=C4)Cl)CC5=CC=CC=C5F

InChI

InChI=1S/C24H24ClFN6O2/c1-29-21-20(22(33)28-24(29)34)32(15-17-6-2-3-8-19(17)26)23(27-21)31-11-9-30(10-12-31)14-16-5-4-7-18(25)13-16/h2-8,13H,9-12,14-15H2,1H3,(H,28,33,34)