2-[[1-[[9-ethyl-2-(1H-indol-4-yl)-6-morpholin-4-yl-purin-8-yl]methyl]azetidin-3-yl]-methyl-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]-methyl-amino]-2-methyl-propanamide Openeye Name: 2-[[1-[[9-ethyl-2-(1H-indol-4-yl)-6-morpholino-purin-8-yl]methyl]azetidin-3-yl]-methyl-amino]-2-methyl-propanamide CAS Name: 2-[[1-[[9-ethyl-2-(1H-indol-4-yl)-6-(4-morpholinyl)-8-purinyl]methyl]-3-azetidinyl]-methylamino]-2-methylpropanamide IUPAC Name: 2-[[1-[[9-ethyl-2-(1H-indol-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]azetidin-3-yl]-methylamino]-2-methylpropanamide Traditional Name: 2-[[1-[[9-ethyl-2-(1H-indol-4-yl)-6-morpholino-purin-8-yl]methyl]azetidin-3-yl]-methyl-amino]-2-methyl-propionamide Formula: C28H37N9O2 MolecularWeight: 531.65248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37N9O2/c1-5-37-22(17-35-15-18(16-35)34(4)28(2,3)27(29)38)31-23-25(36-11-13-39-14-12-36)32-24(33-26(23)37)20-7-6-8-21-19(20)9-10-30-21/h6-10,18,30H,5,11-17H2,1-4H3,(H2,29,38)