N-[2-[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]ethyl]-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[2-[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]ethyl]-4-fluoranyl-benzenesulfonamide Openeye Name: N-[2-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]ethyl]-4-fluoro-benzenesulfonamide CAS Name: N-[2-[(2-chloro-9-cyclopentyl-6-purinyl)amino]ethyl]-4-fluorobenzenesulfonamide IUPAC Name: N-[2-[(2-chloro-9-cyclopentylpurin-6-yl)amino]ethyl]-4-fluorobenzenesulfonamide Traditional Name: N-[2-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]ethyl]-4-fluoro-benzenesulfonamide Formula: C18H20ClFN6O2S MolecularWeight: 438.906803

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCNS(=O)(=O)C4=CC=C(C=C4)F)Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCNS(=O)(=O)C4=CC=C(C=C4)F)Cl

InChI

InChI=1S/C18H20ClFN6O2S/c19-18-24-16(15-17(25-18)26(11-22-15)13-3-1-2-4-13)21-9-10-23-29(27,28)14-7-5-12(20)6-8-14/h5-8,11,13,23H,1-4,9-10H2,(H,21,24,25)