4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

Systemtic Name: 4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide Openeye Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]-N-thiazol-2-yl-benzenesulfonamide CAS Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]-N-(2-thiazolyl)benzenesulfonamide IUPAC Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide Traditional Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]-N-thiazol-2-yl-benzenesulfonamide Formula: C25H31N9O2S2 MolecularWeight: 553.70274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5)NC6CCC(CC6)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5)NC6CCC(CC6)N

InChI

InChI=1S/C25H31N9O2S2/c26-16-5-7-18(8-6-16)30-24-31-22(21-23(32-24)34(15-28-21)19-3-1-2-4-19)29-17-9-11-20(12-10-17)38(35,36)33-25-27-13-14-37-25/h9-16,18-19H,1-8,26H2,(H,27,33)(H2,29,30,31,32)