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

Systemtic Name: N-[2-[(2-chloranyl-9-cyclopentyl-purin-6-yl)amino]ethyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[2-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]ethyl]-3-(trifluoromethyl)benzamide CAS Name: N-[2-[(2-chloro-9-cyclopentyl-6-purinyl)amino]ethyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[2-[(2-chloro-9-cyclopentylpurin-6-yl)amino]ethyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[2-[(2-chloro-9-cyclopentyl-purin-6-yl)amino]ethyl]-3-(trifluoromethyl)benzamide Formula: C20H20ClF3N6O MolecularWeight: 452.86061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClF3N6O/c21-19-28-16(15-17(29-19)30(11-27-15)14-6-1-2-7-14)25-8-9-26-18(31)12-4-3-5-13(10-12)20(22,23)24/h3-5,10-11,14H,1-2,6-9H2,(H,26,31)(H,25,28,29)