N-(4-tert-butylphenyl)-1-[3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]methanesulfonamide

Systemtic Name: N-(4-tert-butylphenyl)-1-[3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]methanesulfonamide Openeye Name: N-(4-tert-butylphenyl)-1-[3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]methanesulfonamide CAS Name: N-(4-tert-butylphenyl)-1-[3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]methanesulfonamide IUPAC Name: N-(4-tert-butylphenyl)-1-[3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]methanesulfonamide Traditional Name: N-(4-tert-butylphenyl)-1-[3-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]phenyl]methanesulfonamide Formula: C29H36N6O3S MolecularWeight: 548.69954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NS(=O)(=O)CC2=CC(=CC=C2)NC3=NC4=C(C(=N3)OCC5CCCCC5)NC=N4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NS(=O)(=O)CC2=CC(=CC=C2)NC3=NC4=C(C(=N3)OCC5CCCCC5)NC=N4

InChI

InChI=1S/C29H36N6O3S/c1-29(2,3)22-12-14-23(15-13-22)35-39(36,37)18-21-10-7-11-24(16-21)32-28-33-26-25(30-19-31-26)27(34-28)38-17-20-8-5-4-6-9-20/h7,10-16,19-20,35H,4-6,8-9,17-18H2,1-3H3,(H2,30,31,32,33,34)