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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N)N1CCN(CC1)CC2=NC3=C(N2C)N=C(N=C3N4CCOCC4)C5=C6C=CNC6=CC=C5

Isomeric SMILES

CC(C)(C(=O)N)N1CCN(CC1)CC2=NC3=C(N2C)N=C(N=C3N4CCOCC4)C5=C6C=CNC6=CC=C5

InChI

InChI=1S/C27H35N9O2/c1-27(2,26(28)37)36-11-9-34(10-12-36)17-21-30-22-24(33(21)3)31-23(32-25(22)35-13-15-38-16-14-35)19-5-4-6-20-18(19)7-8-29-20/h4-8,29H,9-17H2,1-3H3,(H2,28,37)