3-[4-[[9-ethyl-2-(5-fluoranyl-1H-indol-4-yl)-6-morpholin-4-yl-purin-8-yl]methyl]piperazin-1-yl]-2-methyl-propanamide

Systemtic Name: 3-[4-[[9-ethyl-2-(5-fluoranyl-1H-indol-4-yl)-6-morpholin-4-yl-purin-8-yl]methyl]piperazin-1-yl]-2-methyl-propanamide Openeye Name: 3-[4-[[9-ethyl-2-(5-fluoro-1H-indol-4-yl)-6-morpholino-purin-8-yl]methyl]piperazin-1-yl]-2-methyl-propanamide CAS Name: 3-[4-[[9-ethyl-2-(5-fluoro-1H-indol-4-yl)-6-(4-morpholinyl)-8-purinyl]methyl]-1-piperazinyl]-2-methylpropanamide IUPAC Name: 3-[4-[[9-ethyl-2-(5-fluoro-1H-indol-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperazin-1-yl]-2-methylpropanamide Traditional Name: 3-[4-[[9-ethyl-2-(5-fluoro-1H-indol-4-yl)-6-morpholino-purin-8-yl]methyl]piperazino]-2-methyl-propionamide Formula: C28H36FN9O2 MolecularWeight: 549.642943

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1N=C(N=C2N3CCOCC3)C4=C(C=CC5=C4C=CN5)F)CN6CCN(CC6)CC(C)C(=O)N

Isomeric SMILES

CCN1C(=NC2=C1N=C(N=C2N3CCOCC3)C4=C(C=CC5=C4C=CN5)F)CN6CCN(CC6)CC(C)C(=O)N

InChI

InChI=1S/C28H36FN9O2/c1-3-38-22(17-36-10-8-35(9-11-36)16-18(2)25(30)39)32-24-27(37-12-14-40-15-13-37)33-26(34-28(24)38)23-19-6-7-31-21(19)5-4-20(23)29/h4-7,18,31H,3,8-17H2,1-2H3,(H2,30,39)