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

Systemtic Name: 2-[[1-[[9-ethyl-2-(1H-indol-4-yl)-6-morpholin-4-yl-purin-8-yl]methyl]azetidin-3-yl]amino]-2-methyl-propanamide Openeye Name: 2-[[1-[[9-ethyl-2-(1H-indol-4-yl)-6-morpholino-purin-8-yl]methyl]azetidin-3-yl]amino]-2-methyl-propanamide CAS Name: 2-[[1-[[9-ethyl-2-(1H-indol-4-yl)-6-(4-morpholinyl)-8-purinyl]methyl]-3-azetidinyl]amino]-2-methylpropanamide IUPAC Name: 2-[[1-[[9-ethyl-2-(1H-indol-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]azetidin-3-yl]amino]-2-methylpropanamide Traditional Name: 2-[[1-[[9-ethyl-2-(1H-indol-4-yl)-6-morpholino-purin-8-yl]methyl]azetidin-3-yl]amino]-2-methyl-propionamide Formula: C27H35N9O2 MolecularWeight: 517.6259

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1N=C(N=C2N3CCOCC3)C4=C5C=CNC5=CC=C4)CN6CC(C6)NC(C)(C)C(=O)N

Isomeric SMILES

CCN1C(=NC2=C1N=C(N=C2N3CCOCC3)C4=C5C=CNC5=CC=C4)CN6CC(C6)NC(C)(C)C(=O)N

InChI

InChI=1S/C27H35N9O2/c1-4-36-21(16-34-14-17(15-34)33-27(2,3)26(28)37)30-22-24(35-10-12-38-13-11-35)31-23(32-25(22)36)19-6-5-7-20-18(19)8-9-29-20/h5-9,17,29,33H,4,10-16H2,1-3H3,(H2,28,37)