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

Systemtic Name: N-[2-[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[2-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide CAS Name: N-[2-[(2-chloro-9-cyclopentyl-6-purinyl)amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[2-[(2-chloro-9-cyclopentylpurin-6-yl)amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[2-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide Formula: C19H20ClF3N6O2S MolecularWeight: 488.91431

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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)C(F)(F)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClF3N6O2S/c20-18-27-16(15-17(28-18)29(11-25-15)13-3-1-2-4-13)24-9-10-26-32(30,31)14-7-5-12(6-8-14)19(21,22)23/h5-8,11,13,26H,1-4,9-10H2,(H,24,27,28)