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

Systemtic Name: 1-[1-[[9-ethyl-2-(5-fluoranyl-1H-indol-4-yl)-6-morpholin-4-yl-purin-8-yl]methyl]piperidin-4-yl]azetidin-2-one Openeye Name: 1-[1-[[9-ethyl-2-(5-fluoro-1H-indol-4-yl)-6-morpholino-purin-8-yl]methyl]-4-piperidyl]azetidin-2-one CAS Name: 1-[1-[[9-ethyl-2-(5-fluoro-1H-indol-4-yl)-6-(4-morpholinyl)-8-purinyl]methyl]-4-piperidinyl]-2-azetidinone IUPAC Name: 1-[1-[[9-ethyl-2-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]azetidin-2-one Traditional Name: 1-[1-[[9-ethyl-2-(5-fluoro-1H-indol-4-yl)-6-morpholino-purin-8-yl]methyl]-4-piperidyl]azetidin-2-one Formula: C28H33FN8O2 MolecularWeight: 532.612423

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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)N7CCC7=O

Isomeric SMILES

CCN1C(=NC2=C1N=C(N=C2N3CCOCC3)C4=C(C=CC5=C4C=CN5)F)CN6CCC(CC6)N7CCC7=O

InChI

InChI=1S/C28H33FN8O2/c1-2-36-22(17-34-10-6-18(7-11-34)37-12-8-23(37)38)31-25-27(35-13-15-39-16-14-35)32-26(33-28(25)36)24-19-5-9-30-21(19)4-3-20(24)29/h3-5,9,18,30H,2,6-8,10-17H2,1H3