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

Systemtic Name: 1-[[9-ethyl-2-(5-fluoranyl-1H-indol-4-yl)-6-morpholin-4-yl-purin-8-yl]methyl]-4-morpholin-4-yl-piperidine-4-carboxylic acid Openeye Name: 1-[[9-ethyl-2-(5-fluoro-1H-indol-4-yl)-6-morpholino-purin-8-yl]methyl]-4-morpholino-piperidine-4-carboxylic acid CAS Name: 1-[[9-ethyl-2-(5-fluoro-1H-indol-4-yl)-6-(4-morpholinyl)-8-purinyl]methyl]-4-(4-morpholinyl)-4-piperidinecarboxylic acid IUPAC Name: 1-[[9-ethyl-2-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-4-morpholin-4-ylpiperidine-4-carboxylic acid Traditional Name: 1-[[9-ethyl-2-(5-fluoro-1H-indol-4-yl)-6-morpholino-purin-8-yl]methyl]-4-morpholino-isonipecotic acid Formula: C30H37FN8O4 MolecularWeight: 592.664383

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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)O)N7CCOCC7

Isomeric SMILES

CCN1C(=NC2=C1N=C(N=C2N3CCOCC3)C4=C(C=CC5=C4C=CN5)F)CN6CCC(CC6)(C(=O)O)N7CCOCC7

InChI

InChI=1S/C30H37FN8O4/c1-2-39-23(19-36-9-6-30(7-10-36,29(40)41)38-13-17-43-18-14-38)33-25-27(37-11-15-42-16-12-37)34-26(35-28(25)39)24-20-5-8-32-22(20)4-3-21(24)31/h3-5,8,32H,2,6-7,9-19H2,1H3,(H,40,41)