2-[3-ethyl-5-methyl-4-(9-methylpurin-6-yl)piperazin-1-yl]-N-[3-(methylsulfonylamino)phenyl]ethanamide

Systemtic Name: 2-[3-ethyl-5-methyl-4-(9-methylpurin-6-yl)piperazin-1-yl]-N-[3-(methylsulfonylamino)phenyl]ethanamide Openeye Name: 2-[3-ethyl-5-methyl-4-(9-methylpurin-6-yl)piperazin-1-yl]-N-[3-(methanesulfonamido)phenyl]acetamide CAS Name: 2-[3-ethyl-5-methyl-4-(9-methyl-6-purinyl)-1-piperazinyl]-N-[3-(methanesulfonamido)phenyl]acetamide IUPAC Name: 2-[3-ethyl-5-methyl-4-(9-methylpurin-6-yl)piperazin-1-yl]-N-[3-(methanesulfonamido)phenyl]acetamide Traditional Name: 2-[3-ethyl-5-methyl-4-(9-methylpurin-6-yl)piperazino]-N-[3-(methanesulfonamido)phenyl]acetamide Formula: C22H30N8O3S MolecularWeight: 486.5904

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC(N1C2=NC=NC3=C2N=CN3C)C)CC(=O)NC4=CC(=CC=C4)NS(=O)(=O)C

Isomeric SMILES

CCC1CN(CC(N1C2=NC=NC3=C2N=CN3C)C)CC(=O)NC4=CC(=CC=C4)NS(=O)(=O)C

InChI

InChI=1S/C22H30N8O3S/c1-5-18-11-29(12-19(31)26-16-7-6-8-17(9-16)27-34(4,32)33)10-15(2)30(18)22-20-21(23-13-24-22)28(3)14-25-20/h6-9,13-15,18,27H,5,10-12H2,1-4H3,(H,26,31)