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

Systemtic Name: 7-[4-[4-(5-fluoranyl-1H-indol-3-yl)piperidin-1-yl]butyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[4-[4-(5-fluoro-1H-indol-3-yl)-1-piperidyl]butyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[4-[4-(5-fluoro-1H-indol-3-yl)-1-piperidinyl]butyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[4-[4-(5-fluoro-1H-indol-3-yl)piperidino]butyl]-1,3-dimethyl-xanthine Formula: C24H29FN6O2 MolecularWeight: 452.524463

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCN3CCC(CC3)C4=CNC5=C4C=C(C=C5)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCN3CCC(CC3)C4=CNC5=C4C=C(C=C5)F

InChI

InChI=1S/C24H29FN6O2/c1-28-22-21(23(32)29(2)24(28)33)31(15-27-22)10-4-3-9-30-11-7-16(8-12-30)19-14-26-20-6-5-17(25)13-18(19)20/h5-6,13-16,26H,3-4,7-12H2,1-2H3