7-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-[4-(4-fluorobenzoyl)piperidino]ethyl]-1,3-dimethyl-xanthine Formula: C21H24FN5O3 MolecularWeight: 413.445363

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H24FN5O3/c1-24-19-17(20(29)25(2)21(24)30)27(13-23-19)12-11-26-9-7-15(8-10-26)18(28)14-3-5-16(22)6-4-14/h3-6,13,15H,7-12H2,1-2H3