7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1-methyl-3-(phenylmethyl)-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1-methyl-3-(phenylmethyl)-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 3-benzyl-7-[(2-chloro-6-fluoro-phenyl)methyl]-1-methyl-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-(phenylmethyl)-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 3-benzyl-7-(2-chloro-6-fluoro-benzyl)-1-methyl-8-piperidino-xanthine Formula: C25H25ClFN5O2 MolecularWeight: 481.949703

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2CC3=C(C=CC=C3Cl)F)N4CCCCC4)N(C1=O)CC5=CC=CC=C5

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2CC3=C(C=CC=C3Cl)F)N4CCCCC4)N(C1=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H25ClFN5O2/c1-29-23(33)21-22(32(25(29)34)15-17-9-4-2-5-10-17)28-24(30-13-6-3-7-14-30)31(21)16-18-19(26)11-8-12-20(18)27/h2,4-5,8-12H,3,6-7,13-16H2,1H3