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

Systemtic Name: 2-[[9-ethyl-6-[(4-piperidin-1-ylsulfonylphenyl)amino]purin-2-yl]amino]cyclohexane-1-carboxylic acid Openeye Name: 2-[[9-ethyl-6-[4-(1-piperidylsulfonyl)anilino]purin-2-yl]amino]cyclohexanecarboxylic acid CAS Name: 2-[[9-ethyl-6-[4-(1-piperidinylsulfonyl)anilino]-2-purinyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[9-ethyl-6-(4-piperidin-1-ylsulfonylanilino)purin-2-yl]amino]cyclohexane-1-carboxylic acid Traditional Name: 2-[[9-ethyl-6-(4-piperidinosulfonylanilino)purin-2-yl]amino]cyclohexanecarboxylic acid Formula: C25H33N7O4S MolecularWeight: 527.63902

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)NC5CCCCC5C(=O)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)NC5CCCCC5C(=O)O

InChI

InChI=1S/C25H33N7O4S/c1-2-31-16-26-21-22(29-25(30-23(21)31)28-20-9-5-4-8-19(20)24(33)34)27-17-10-12-18(13-11-17)37(35,36)32-14-6-3-7-15-32/h10-13,16,19-20H,2-9,14-15H2,1H3,(H,33,34)(H2,27,28,29,30)