2-[[9-ethyl-6-[[4-(3-methylbutyl)phenyl]-sulfamoyl-amino]purin-2-yl]amino]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[9-ethyl-6-[[4-(3-methylbutyl)phenyl]-sulfamoyl-amino]purin-2-yl]amino]cyclohexane-1-carboxylic acid Openeye Name: 2-[[9-ethyl-6-(4-isopentyl-N-sulfamoyl-anilino)purin-2-yl]amino]cyclohexanecarboxylic acid CAS Name: 2-[[9-ethyl-6-[4-(3-methylbutyl)-N-sulfamoylanilino]-2-purinyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[9-ethyl-6-[4-(3-methylbutyl)-N-sulfamoylanilino]purin-2-yl]amino]cyclohexane-1-carboxylic acid Traditional Name: 2-[[9-ethyl-6-(4-isoamyl-N-sulfamoyl-anilino)purin-2-yl]amino]cyclohexanecarboxylic acid Formula: C25H35N7O4S MolecularWeight: 529.6549

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2N(C3=CC=C(C=C3)CCC(C)C)S(=O)(=O)N)NC4CCCCC4C(=O)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2N(C3=CC=C(C=C3)CCC(C)C)S(=O)(=O)N)NC4CCCCC4C(=O)O

InChI

InChI=1S/C25H35N7O4S/c1-4-31-15-27-21-22(31)29-25(28-20-8-6-5-7-19(20)24(33)34)30-23(21)32(37(26,35)36)18-13-11-17(12-14-18)10-9-16(2)3/h11-16,19-20H,4-10H2,1-3H3,(H,33,34)(H2,26,35,36)(H,28,29,30)