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

Systemtic Name: 2-[4-[[9-ethyl-2-(1H-indol-4-yl)-6-morpholin-4-yl-purin-8-yl]methyl]-2,2-dimethyl-piperazin-1-yl]ethanamide Openeye Name: 2-[4-[[9-ethyl-2-(1H-indol-4-yl)-6-morpholino-purin-8-yl]methyl]-2,2-dimethyl-piperazin-1-yl]acetamide CAS Name: 2-[4-[[9-ethyl-2-(1H-indol-4-yl)-6-(4-morpholinyl)-8-purinyl]methyl]-2,2-dimethyl-1-piperazinyl]acetamide IUPAC Name: 2-[4-[[9-ethyl-2-(1H-indol-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-2,2-dimethylpiperazin-1-yl]acetamide Traditional Name: 2-[4-[[9-ethyl-2-(1H-indol-4-yl)-6-morpholino-purin-8-yl]methyl]-2,2-dimethyl-piperazino]acetamide 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(C(C6)(C)C)CC(=O)N

Isomeric SMILES

CCN1C(=NC2=C1N=C(N=C2N3CCOCC3)C4=C5C=CNC5=CC=C4)CN6CCN(C(C6)(C)C)CC(=O)N

InChI

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