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

Systemtic Name: 4-[[9-ethyl-2-(5-fluoranyl-1H-indol-4-yl)-6-morpholin-4-yl-purin-8-yl]methyl]-6,6-dimethyl-piperazin-2-one Openeye Name: 4-[[9-ethyl-2-(5-fluoro-1H-indol-4-yl)-6-morpholino-purin-8-yl]methyl]-6,6-dimethyl-piperazin-2-one CAS Name: 4-[[9-ethyl-2-(5-fluoro-1H-indol-4-yl)-6-(4-morpholinyl)-8-purinyl]methyl]-6,6-dimethyl-2-piperazinone IUPAC Name: 4-[[9-ethyl-2-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-6,6-dimethylpiperazin-2-one Traditional Name: 4-[[9-ethyl-2-(5-fluoro-1H-indol-4-yl)-6-morpholino-purin-8-yl]methyl]-6,6-dimethyl-piperazin-2-one 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)CN6CC(=O)NC(C6)(C)C

Isomeric SMILES

CCN1C(=NC2=C1N=C(N=C2N3CCOCC3)C4=C(C=CC5=C4C=CN5)F)CN6CC(=O)NC(C6)(C)C

InChI

InChI=1S/C26H31FN8O2/c1-4-35-19(13-33-14-20(36)32-26(2,3)15-33)29-22-24(34-9-11-37-12-10-34)30-23(31-25(22)35)21-16-7-8-28-18(16)6-5-17(21)27/h5-8,28H,4,9-15H2,1-3H3,(H,32,36)