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

Systemtic Name: 7-[4-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]butyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[4-[4-(4-fluorobenzoyl)-1-piperidyl]butyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[4-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]butyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-[4-(4-fluorobenzoyl)piperidino]butyl]-1,3-dimethyl-xanthine Formula: C23H28FN5O3 MolecularWeight: 441.498523

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H28FN5O3/c1-26-21-19(22(31)27(2)23(26)32)29(15-25-21)12-4-3-11-28-13-9-17(10-14-28)20(30)16-5-7-18(24)8-6-16/h5-8,15,17H,3-4,9-14H2,1-2H3