N-[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]-3-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]-3-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]-3-(trifluoromethyl)benzenesulfonamide CAS Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]-3-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]-3-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]-3-(trifluoromethyl)benzenesulfonamide Formula: C23H28F3N7O2S MolecularWeight: 523.57433

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NS(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NS(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)NC5CCC(CC5)N

InChI

InChI=1S/C23H28F3N7O2S/c24-23(25,26)14-4-3-7-18(12-14)36(34,35)32-20-19-21(33(13-28-19)17-5-1-2-6-17)31-22(30-20)29-16-10-8-15(27)9-11-16/h3-4,7,12-13,15-17H,1-2,5-6,8-11,27H2,(H2,29,30,31,32)