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

Systemtic Name: 2-[4-[[9-ethyl-2-(1H-indol-4-yl)-6-morpholin-4-yl-purin-8-yl]methyl]piperazin-1-yl]-2-methyl-propanamide Openeye Name: 2-[4-[[9-ethyl-2-(1H-indol-4-yl)-6-morpholino-purin-8-yl]methyl]piperazin-1-yl]-2-methyl-propanamide CAS Name: 2-[4-[[9-ethyl-2-(1H-indol-4-yl)-6-(4-morpholinyl)-8-purinyl]methyl]-1-piperazinyl]-2-methylpropanamide IUPAC Name: 2-[4-[[9-ethyl-2-(1H-indol-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperazin-1-yl]-2-methylpropanamide Traditional Name: 2-[4-[[9-ethyl-2-(1H-indol-4-yl)-6-morpholino-purin-8-yl]methyl]piperazino]-2-methyl-propionamide Formula: C28H37N9O2 MolecularWeight: 531.65248

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1N=C(N=C2N3CCOCC3)C4=C5C=CNC5=CC=C4)CN6CCN(CC6)C(C)(C)C(=O)N

Isomeric SMILES

CCN1C(=NC2=C1N=C(N=C2N3CCOCC3)C4=C5C=CNC5=CC=C4)CN6CCN(CC6)C(C)(C)C(=O)N

InChI

InChI=1S/C28H37N9O2/c1-4-37-22(18-34-10-12-36(13-11-34)28(2,3)27(29)38)31-23-25(35-14-16-39-17-15-35)32-24(33-26(23)37)20-6-5-7-21-19(20)8-9-30-21/h5-9,30H,4,10-18H2,1-3H3,(H2,29,38)