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

Systemtic Name: 7-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-ethyl-1-(2-methoxyethyl)-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 7-[(2-chloro-6-fluoro-phenyl)methyl]-3-ethyl-1-(2-methoxyethyl)-8-(1-piperidyl)purine-2,6-dione CAS Name: 7-[(2-chloro-6-fluorophenyl)methyl]-3-ethyl-1-(2-methoxyethyl)-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 7-[(2-chloro-6-fluorophenyl)methyl]-3-ethyl-1-(2-methoxyethyl)-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 7-(2-chloro-6-fluoro-benzyl)-3-ethyl-1-(2-methoxyethyl)-8-piperidino-xanthine Formula: C22H27ClFN5O3 MolecularWeight: 463.932883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CCOC)N(C(=N2)N3CCCCC3)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CCOC)N(C(=N2)N3CCCCC3)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C22H27ClFN5O3/c1-3-27-19-18(20(30)28(22(27)31)12-13-32-2)29(14-15-16(23)8-7-9-17(15)24)21(25-19)26-10-5-4-6-11-26/h7-9H,3-6,10-14H2,1-2H3