2-[4-[[2-(1H-indol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]methyl]piperazin-1-yl]-2-methyl-propanamide

Systemtic Name: 2-[4-[[2-(1H-indol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]methyl]piperazin-1-yl]-2-methyl-propanamide Openeye Name: 2-[4-[[2-(1H-indol-4-yl)-6-morpholino-7H-purin-8-yl]methyl]piperazin-1-yl]-2-methyl-propanamide CAS Name: 2-[4-[[2-(1H-indol-4-yl)-6-(4-morpholinyl)-7H-purin-8-yl]methyl]-1-piperazinyl]-2-methylpropanamide IUPAC Name: 2-[4-[[2-(1H-indol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]methyl]piperazin-1-yl]-2-methylpropanamide Traditional Name: 2-[4-[[2-(1H-indol-4-yl)-6-morpholino-7H-purin-8-yl]methyl]piperazino]-2-methyl-propionamide Formula: C26H33N9O2 MolecularWeight: 503.59932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N)N1CCN(CC1)CC2=NC3=C(N2)C(=NC(=N3)C4=C5C=CNC5=CC=C4)N6CCOCC6

Isomeric SMILES

CC(C)(C(=O)N)N1CCN(CC1)CC2=NC3=C(N2)C(=NC(=N3)C4=C5C=CNC5=CC=C4)N6CCOCC6

InChI

InChI=1S/C26H33N9O2/c1-26(2,25(27)36)35-10-8-33(9-11-35)16-20-29-21-23(30-20)31-22(32-24(21)34-12-14-37-15-13-34)18-4-3-5-19-17(18)6-7-28-19/h3-7,28H,8-16H2,1-2H3,(H2,27,36)(H,29,30,31,32)