N-[1-[[9-ethyl-2-(1H-indol-4-yl)-6-morpholin-4-yl-purin-8-yl]methyl]piperidin-4-yl]-N-methyl-methanesulfonamide

Systemtic Name: N-[1-[[9-ethyl-2-(1H-indol-4-yl)-6-morpholin-4-yl-purin-8-yl]methyl]piperidin-4-yl]-N-methyl-methanesulfonamide Openeye Name: N-[1-[[9-ethyl-2-(1H-indol-4-yl)-6-morpholino-purin-8-yl]methyl]-4-piperidyl]-N-methyl-methanesulfonamide CAS Name: N-[1-[[9-ethyl-2-(1H-indol-4-yl)-6-(4-morpholinyl)-8-purinyl]methyl]-4-piperidinyl]-N-methylmethanesulfonamide IUPAC Name: N-[1-[[9-ethyl-2-(1H-indol-4-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]-N-methylmethanesulfonamide Traditional Name: N-[1-[[9-ethyl-2-(1H-indol-4-yl)-6-morpholino-purin-8-yl]methyl]-4-piperidyl]-N-methyl-methanesulfonamide Formula: C27H36N8O3S MolecularWeight: 552.69154

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NC2=C1N=C(N=C2N3CCOCC3)C4=C5C=CNC5=CC=C4)CN6CCC(CC6)N(C)S(=O)(=O)C

Isomeric SMILES

CCN1C(=NC2=C1N=C(N=C2N3CCOCC3)C4=C5C=CNC5=CC=C4)CN6CCC(CC6)N(C)S(=O)(=O)C

InChI

InChI=1S/C27H36N8O3S/c1-4-35-23(18-33-12-9-19(10-13-33)32(2)39(3,36)37)29-24-26(34-14-16-38-17-15-34)30-25(31-27(24)35)21-6-5-7-22-20(21)8-11-28-22/h5-8,11,19,28H,4,9-10,12-18H2,1-3H3