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

Systemtic Name: 2-[[6-[(4-butylphenyl)-sulfamoyl-amino]-9-ethyl-purin-2-yl]amino]cyclohexane-1-carboxylic acid Openeye Name: 2-[[6-(4-butyl-N-sulfamoyl-anilino)-9-ethyl-purin-2-yl]amino]cyclohexanecarboxylic acid CAS Name: 2-[[6-(4-butyl-N-sulfamoylanilino)-9-ethyl-2-purinyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[6-(4-butyl-N-sulfamoylanilino)-9-ethylpurin-2-yl]amino]cyclohexane-1-carboxylic acid Traditional Name: 2-[[6-(4-butyl-N-sulfamoyl-anilino)-9-ethyl-purin-2-yl]amino]cyclohexanecarboxylic acid Formula: C24H33N7O4S MolecularWeight: 515.62832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N(C2=NC(=NC3=C2N=CN3CC)NC4CCCCC4C(=O)O)S(=O)(=O)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N(C2=NC(=NC3=C2N=CN3CC)NC4CCCCC4C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C24H33N7O4S/c1-3-5-8-16-11-13-17(14-12-16)31(36(25,34)35)22-20-21(30(4-2)15-26-20)28-24(29-22)27-19-10-7-6-9-18(19)23(32)33/h11-15,18-19H,3-10H2,1-2H3,(H,32,33)(H2,25,34,35)(H,27,28,29)