2-[4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidin-1-yl]sulfonylbenzoic acid

Systemtic Name: 2-[4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidin-1-yl]sulfonylbenzoic acid Openeye Name: 2-[[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]-1-piperidyl]sulfonyl]benzoic acid CAS Name: 2-[[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]-1-piperidinyl]sulfonyl]benzoic acid IUPAC Name: 2-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]sulfonylbenzoic acid Traditional Name: 2-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidino]sulfonylbenzoic acid Formula: C28H38N8O4S MolecularWeight: 582.71752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C(=O)O)NC6CCC(CC6)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)S(=O)(=O)C5=CC=CC=C5C(=O)O)NC6CCC(CC6)N

InChI

InChI=1S/C28H38N8O4S/c29-18-9-11-19(12-10-18)32-28-33-25(24-26(34-28)36(17-30-24)21-5-1-2-6-21)31-20-13-15-35(16-14-20)41(39,40)23-8-4-3-7-22(23)27(37)38/h3-4,7-8,17-21H,1-2,5-6,9-16,29H2,(H,37,38)(H2,31,32,33,34)