ethyl 2-[2-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethylsulfamoyl]benzoate

Systemtic Name: ethyl 2-[2-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethylsulfamoyl]benzoate Openeye Name: ethyl 2-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethylsulfamoyl]benzoate CAS Name: 2-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]ethylsulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]ethylsulfamoyl]benzoate Traditional Name: 2-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethylsulfamoyl]benzoic acid ethyl ester Formula: C27H38N8O4S MolecularWeight: 570.70682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1S(=O)(=O)NCCNC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1S(=O)(=O)NCCNC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

InChI

InChI=1S/C27H38N8O4S/c1-2-39-26(36)21-9-5-6-10-22(21)40(37,38)31-16-15-29-24-23-25(35(17-30-23)20-7-3-4-8-20)34-27(33-24)32-19-13-11-18(28)12-14-19/h5-6,9-10,17-20,31H,2-4,7-8,11-16,28H2,1H3,(H2,29,32,33,34)