7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-8-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-8-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-[(4-benzhydrylpiperazin-1-yl)methyl]-7-[(2-chloro-6-fluoro-phenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-8-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(4-benzhydrylpiperazin-1-yl)methyl]-7-[(2-chloro-6-fluorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(4-benzhydrylpiperazino)methyl]-7-(2-chloro-6-fluoro-benzyl)-1,3-dimethyl-xanthine Formula: C32H32ClFN6O2 MolecularWeight: 587.086883

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)CC6=C(C=CC=C6Cl)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)CC6=C(C=CC=C6Cl)F

InChI

InChI=1S/C32H32ClFN6O2/c1-36-30-29(31(41)37(2)32(36)42)40(20-24-25(33)14-9-15-26(24)34)27(35-30)21-38-16-18-39(19-17-38)28(22-10-5-3-6-11-22)23-12-7-4-8-13-23/h3-15,28H,16-21H2,1-2H3