7-[3-[4-(5-fluoranyl-1H-indol-3-yl)piperidin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[3-[4-(5-fluoranyl-1H-indol-3-yl)piperidin-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-[4-(5-fluoro-1H-indol-3-yl)-1-piperidyl]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-[4-(5-fluoro-1H-indol-3-yl)-1-piperidinyl]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-[4-(5-fluoro-1H-indol-3-yl)piperidino]propyl]-1,3-dimethyl-xanthine Formula: C23H27FN6O2 MolecularWeight: 438.497883

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCC(CC3)C4=CNC5=C4C=C(C=C5)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN3CCC(CC3)C4=CNC5=C4C=C(C=C5)F

InChI

InChI=1S/C23H27FN6O2/c1-27-21-20(22(31)28(2)23(27)32)30(14-26-21)9-3-8-29-10-6-15(7-11-29)18-13-25-19-5-4-16(24)12-17(18)19/h4-5,12-15,25H,3,6-11H2,1-2H3