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

Systemtic Name: 2-[[6-[(4-cyclohexylphenyl)-sulfamoyl-amino]-9-ethyl-purin-2-yl]amino]cyclohexane-1-carboxylic acid Openeye Name: 2-[[6-(4-cyclohexyl-N-sulfamoyl-anilino)-9-ethyl-purin-2-yl]amino]cyclohexanecarboxylic acid CAS Name: 2-[[6-(4-cyclohexyl-N-sulfamoylanilino)-9-ethyl-2-purinyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[6-(4-cyclohexyl-N-sulfamoylanilino)-9-ethylpurin-2-yl]amino]cyclohexane-1-carboxylic acid Traditional Name: 2-[[6-(4-cyclohexyl-N-sulfamoyl-anilino)-9-ethyl-purin-2-yl]amino]cyclohexanecarboxylic acid Formula: C26H35N7O4S MolecularWeight: 541.6656

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2N(C3=CC=C(C=C3)C4CCCCC4)S(=O)(=O)N)NC5CCCCC5C(=O)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2N(C3=CC=C(C=C3)C4CCCCC4)S(=O)(=O)N)NC5CCCCC5C(=O)O

InChI

InChI=1S/C26H35N7O4S/c1-2-32-16-28-22-23(32)30-26(29-21-11-7-6-10-20(21)25(34)35)31-24(22)33(38(27,36)37)19-14-12-18(13-15-19)17-8-4-3-5-9-17/h12-17,20-21H,2-11H2,1H3,(H,34,35)(H2,27,36,37)(H,29,30,31)