N-[2-[(4-azanylcyclohexyl)amino]-3-[(9-ethylpurin-6-yl)amino]phenyl]-N-butyl-methanesulfonamide

Systemtic Name: N-[2-[(4-azanylcyclohexyl)amino]-3-[(9-ethylpurin-6-yl)amino]phenyl]-N-butyl-methanesulfonamide Openeye Name: N-[2-[(4-aminocyclohexyl)amino]-3-[(9-ethylpurin-6-yl)amino]phenyl]-N-butyl-methanesulfonamide CAS Name: N-[2-[(4-aminocyclohexyl)amino]-3-[(9-ethyl-6-purinyl)amino]phenyl]-N-butylmethanesulfonamide IUPAC Name: N-[2-[(4-aminocyclohexyl)amino]-3-[(9-ethylpurin-6-yl)amino]phenyl]-N-butylmethanesulfonamide Traditional Name: N-[2-[(4-aminocyclohexyl)amino]-3-[(9-ethylpurin-6-yl)amino]phenyl]-N-butyl-methanesulfonamide Formula: C24H36N8O2S MolecularWeight: 500.66004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC(=C1NC2CCC(CC2)N)NC3=NC=NC4=C3N=CN4CC)S(=O)(=O)C

Isomeric SMILES

CCCCN(C1=CC=CC(=C1NC2CCC(CC2)N)NC3=NC=NC4=C3N=CN4CC)S(=O)(=O)C

InChI

InChI=1S/C24H36N8O2S/c1-4-6-14-32(35(3,33)34)20-9-7-8-19(21(20)29-18-12-10-17(25)11-13-18)30-23-22-24(27-15-26-23)31(5-2)16-28-22/h7-9,15-18,29H,4-6,10-14,25H2,1-3H3,(H,26,27,30)