N-[4-[2-(4-fluorophenyl)-7H-purin-8-yl]cyclohexyl]-2-methyl-propane-2-sulfonamide

Systemtic Name: N-[4-[2-(4-fluorophenyl)-7H-purin-8-yl]cyclohexyl]-2-methyl-propane-2-sulfonamide Openeye Name: N-[4-[2-(4-fluorophenyl)-7H-purin-8-yl]cyclohexyl]-2-methyl-propane-2-sulfonamide CAS Name: N-[4-[2-(4-fluorophenyl)-7H-purin-8-yl]cyclohexyl]-2-methyl-2-propanesulfonamide IUPAC Name: N-[4-[2-(4-fluorophenyl)-7H-purin-8-yl]cyclohexyl]-2-methylpropane-2-sulfonamide Traditional Name: N-[4-[2-(4-fluorophenyl)-7H-purin-8-yl]cyclohexyl]-2-methyl-propane-2-sulfonamide Formula: C21H26FN5O2S MolecularWeight: 431.526843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)NC1CCC(CC1)C2=NC3=NC(=NC=C3N2)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)(C)S(=O)(=O)NC1CCC(CC1)C2=NC3=NC(=NC=C3N2)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H26FN5O2S/c1-21(2,3)30(28,29)27-16-10-6-14(7-11-16)19-24-17-12-23-18(25-20(17)26-19)13-4-8-15(22)9-5-13/h4-5,8-9,12,14,16,27H,6-7,10-11H2,1-3H3,(H,23,24,25,26)