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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)N4CCCCC4)CC5=C(C=CC=C5Cl)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)N(C(=N2)N4CCCCC4)CC5=C(C=CC=C5Cl)F

InChI

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