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

Systemtic Name: 2-[4-[[2-(5-fluoranyl-1H-indol-4-yl)-9-methyl-6-morpholin-4-yl-purin-8-yl]methyl]piperazin-1-yl]-2-methyl-propanamide Openeye Name: 2-[4-[[2-(5-fluoro-1H-indol-4-yl)-9-methyl-6-morpholino-purin-8-yl]methyl]piperazin-1-yl]-2-methyl-propanamide CAS Name: 2-[4-[[2-(5-fluoro-1H-indol-4-yl)-9-methyl-6-(4-morpholinyl)-8-purinyl]methyl]-1-piperazinyl]-2-methylpropanamide IUPAC Name: 2-[4-[[2-(5-fluoro-1H-indol-4-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]piperazin-1-yl]-2-methylpropanamide Traditional Name: 2-[4-[[2-(5-fluoro-1H-indol-4-yl)-9-methyl-6-morpholino-purin-8-yl]methyl]piperazino]-2-methyl-propionamide Formula: C27H34FN9O2 MolecularWeight: 535.616363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N)N1CCN(CC1)CC2=NC3=C(N2C)N=C(N=C3N4CCOCC4)C5=C(C=CC6=C5C=CN6)F

Isomeric SMILES

CC(C)(C(=O)N)N1CCN(CC1)CC2=NC3=C(N2C)N=C(N=C3N4CCOCC4)C5=C(C=CC6=C5C=CN6)F

InChI

InChI=1S/C27H34FN9O2/c1-27(2,26(29)38)37-10-8-35(9-11-37)16-20-31-22-24(34(20)3)32-23(33-25(22)36-12-14-39-15-13-36)21-17-6-7-30-19(17)5-4-18(21)28/h4-7,30H,8-16H2,1-3H3,(H2,29,38)