1-[[9-ethyl-2-(5-fluoranyl-1H-indol-4-yl)-6-morpholin-4-yl-purin-8-yl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-[[9-ethyl-2-(5-fluoranyl-1H-indol-4-yl)-6-morpholin-4-yl-purin-8-yl]methyl]piperidine-4-carboxamide Openeye Name: 1-[[9-ethyl-2-(5-fluoro-1H-indol-4-yl)-6-morpholino-purin-8-yl]methyl]piperidine-4-carboxamide CAS Name: 1-[[9-ethyl-2-(5-fluoro-1H-indol-4-yl)-6-(4-morpholinyl)-8-purinyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-[[9-ethyl-2-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidine-4-carboxamide Traditional Name: 1-[[9-ethyl-2-(5-fluoro-1H-indol-4-yl)-6-morpholino-purin-8-yl]methyl]isonipecotamide Formula: C26H31FN8O2 MolecularWeight: 506.575143

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1N=C(N=C2N3CCOCC3)C4=C(C=CC5=C4C=CN5)F)CN6CCC(CC6)C(=O)N

Isomeric SMILES

CCN1C(=NC2=C1N=C(N=C2N3CCOCC3)C4=C(C=CC5=C4C=CN5)F)CN6CCC(CC6)C(=O)N

InChI

InChI=1S/C26H31FN8O2/c1-2-35-20(15-33-9-6-16(7-10-33)23(28)36)30-22-25(34-11-13-37-14-12-34)31-24(32-26(22)35)21-17-5-8-29-19(17)4-3-18(21)27/h3-5,8,16,29H,2,6-7,9-15H2,1H3,(H2,28,36)