4-[[2-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethylamino]methyl]benzoate

Systemtic Name: 4-[[2-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethylamino]methyl]benzoate Openeye Name: 4-[[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethylamino]methyl]benzoate CAS Name: 4-[[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]ethylamino]methyl]benzoate IUPAC Name: 4-[[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]ethylamino]methyl]benzoate Traditional Name: 4-[[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethylamino]methyl]benzoate Formula: C26H35N8O2- MolecularWeight: 491.6085

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCNCC4=CC=C(C=C4)C(=O)[O-])NC5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCNCC4=CC=C(C=C4)C(=O)[O-])NC5CCC(CC5)N

InChI

InChI=1S/C26H36N8O2/c27-19-9-11-20(12-10-19)31-26-32-23(22-24(33-26)34(16-30-22)21-3-1-2-4-21)29-14-13-28-15-17-5-7-18(8-6-17)25(35)36/h5-8,16,19-21,28H,1-4,9-15,27H2,(H,35,36)(H2,29,31,32,33)/p-1