2-[(2-chloranyl-7H-purin-6-yl)amino]-N-[4-(trifluoromethyloxy)phenyl]ethanamide

Systemtic Name: 2-[(2-chloranyl-7H-purin-6-yl)amino]-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-[(2-chloro-7H-purin-6-yl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[(2-chloro-7H-purin-6-yl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-[(2-chloro-7H-purin-6-yl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-[(2-chloro-7H-purin-6-yl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C14H10ClF3N6O2 MolecularWeight: 386.71641

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CNC2=NC(=NC3=C2NC=N3)Cl)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CNC2=NC(=NC3=C2NC=N3)Cl)OC(F)(F)F

InChI

InChI=1S/C14H10ClF3N6O2/c15-13-23-11(10-12(24-13)21-6-20-10)19-5-9(25)22-7-1-3-8(4-2-7)26-14(16,17)18/h1-4,6H,5H2,(H,22,25)(H2,19,20,21,23,24)