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

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-ethyl-1-(2-phenoxyethyl)-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-3-ethyl-1-(2-phenoxyethyl)-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-3-ethyl-1-(2-phenoxyethyl)-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-3-ethyl-1-(2-phenoxyethyl)-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-3-ethyl-1-(2-phenoxyethyl)-8-piperidino-xanthine Formula: C27H29ClFN5O3 MolecularWeight: 526.002263

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CCOC3=CC=CC=C3)N(C(=N2)N4CCCCC4)CC5=C(C=CC=C5Cl)F

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CCOC3=CC=CC=C3)N(C(=N2)N4CCCCC4)CC5=C(C=CC=C5Cl)F

InChI

InChI=1S/C27H29ClFN5O3/c1-2-32-24-23(25(35)33(27(32)36)16-17-37-19-10-5-3-6-11-19)34(18-20-21(28)12-9-13-22(20)29)26(30-24)31-14-7-4-8-15-31/h3,5-6,9-13H,2,4,7-8,14-18H2,1H3