N-[2-[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]ethyl]-3-(trifluoromethyloxy)benzamide

Systemtic Name: N-[2-[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]ethyl]-3-(trifluoromethyloxy)benzamide Openeye Name: N-[2-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]ethyl]-3-(trifluoromethoxy)benzamide CAS Name: N-[2-[(2-chloro-9-cyclopentyl-6-purinyl)amino]ethyl]-3-(trifluoromethoxy)benzamide IUPAC Name: N-[2-[(2-chloro-9-cyclopentylpurin-6-yl)amino]ethyl]-3-(trifluoromethoxy)benzamide Traditional Name: N-[2-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]ethyl]-3-(trifluoromethoxy)benzamide Formula: C20H20ClF3N6O2 MolecularWeight: 468.86001

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCNC(=O)C4=CC(=CC=C4)OC(F)(F)F)Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCNC(=O)C4=CC(=CC=C4)OC(F)(F)F)Cl

InChI

InChI=1S/C20H20ClF3N6O2/c21-19-28-16(15-17(29-19)30(11-27-15)13-5-1-2-6-13)25-8-9-26-18(31)12-4-3-7-14(10-12)32-20(22,23)24/h3-4,7,10-11,13H,1-2,5-6,8-9H2,(H,26,31)(H,25,28,29)