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

Systemtic Name: 2-[(2S)-4-[[9-ethyl-2-(1H-indol-4-yl)-6-morpholin-4-yl-purin-8-yl]methyl]-2-propan-2-yl-piperazin-1-yl]ethanamide Openeye Name: 2-[(2S)-4-[[9-ethyl-2-(1H-indol-4-yl)-6-morpholino-purin-8-yl]methyl]-2-isopropyl-piperazin-1-yl]acetamide CAS Name: 2-[(2S)-4-[[9-ethyl-2-(1H-indol-4-yl)-6-(4-morpholinyl)-8-purinyl]methyl]-2-propan-2-yl-1-piperazinyl]acetamide IUPAC Name: 2-[(2S)-4-[[9-ethyl-2-(1H-indol-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]-2-propan-2-ylpiperazin-1-yl]acetamide Traditional Name: 2-[(2S)-4-[[9-ethyl-2-(1H-indol-4-yl)-6-morpholino-purin-8-yl]methyl]-2-isopropyl-piperazino]acetamide Formula: C29H39N9O2 MolecularWeight: 545.67906

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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)C)CC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C29H39N9O2/c1-4-38-25(18-35-10-11-37(17-24(30)39)23(16-35)19(2)3)32-26-28(36-12-14-40-15-13-36)33-27(34-29(26)38)21-6-5-7-22-20(21)8-9-31-22/h5-9,19,23,31H,4,10-18H2,1-3H3,(H2,30,39)/t23-/m1/s1