2-[[9-ethyl-6-[[4-(2-methylpropylsulfamoyl)phenyl]amino]purin-2-yl]amino]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[9-ethyl-6-[[4-(2-methylpropylsulfamoyl)phenyl]amino]purin-2-yl]amino]cyclohexane-1-carboxylic acid Openeye Name: 2-[[9-ethyl-6-[4-(isobutylsulfamoyl)anilino]purin-2-yl]amino]cyclohexanecarboxylic acid CAS Name: 2-[[9-ethyl-6-[4-(2-methylpropylsulfamoyl)anilino]-2-purinyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[9-ethyl-6-[4-(2-methylpropylsulfamoyl)anilino]purin-2-yl]amino]cyclohexane-1-carboxylic acid Traditional Name: 2-[[9-ethyl-6-[4-(isobutylsulfamoyl)anilino]purin-2-yl]amino]cyclohexanecarboxylic acid Formula: C24H33N7O4S MolecularWeight: 515.62832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)NCC(C)C)NC4CCCCC4C(=O)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)NCC(C)C)NC4CCCCC4C(=O)O

InChI

InChI=1S/C24H33N7O4S/c1-4-31-14-25-20-21(27-16-9-11-17(12-10-16)36(34,35)26-13-15(2)3)29-24(30-22(20)31)28-19-8-6-5-7-18(19)23(32)33/h9-12,14-15,18-19,26H,4-8,13H2,1-3H3,(H,32,33)(H2,27,28,29,30)