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

Systemtic Name: N-[2-[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]ethyl]-4-(trifluoromethyl)benzamide Openeye Name: N-[2-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]ethyl]-4-(trifluoromethyl)benzamide CAS Name: N-[2-[(2-chloro-9-cyclopentyl-6-purinyl)amino]ethyl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[2-[(2-chloro-9-cyclopentylpurin-6-yl)amino]ethyl]-4-(trifluoromethyl)benzamide Traditional Name: N-[2-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]ethyl]-4-(trifluoromethyl)benzamide Formula: C20H20ClF3N6O MolecularWeight: 452.86061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClF3N6O/c21-19-28-16(15-17(29-19)30(11-27-15)14-3-1-2-4-14)25-9-10-26-18(31)12-5-7-13(8-6-12)20(22,23)24/h5-8,11,14H,1-4,9-10H2,(H,26,31)(H,25,28,29)