3-[(2-chloranyl-7H-purin-6-yl)amino]-N-[4-(trifluoromethyloxy)phenyl]propanamide

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)amino]-N-[4-(trifluoromethyloxy)phenyl]propanamide Openeye Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-[4-(trifluoromethoxy)phenyl]propanamide CAS Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-[4-(trifluoromethoxy)phenyl]propanamide IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-[4-(trifluoromethoxy)phenyl]propanamide Traditional Name: 3-[(2-chloro-7H-purin-6-yl)amino]-N-[4-(trifluoromethoxy)phenyl]propionamide Formula: C15H12ClF3N6O2 MolecularWeight: 400.74299

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCNC2=NC(=NC3=C2NC=N3)Cl)OC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCNC2=NC(=NC3=C2NC=N3)Cl)OC(F)(F)F

InChI

InChI=1S/C15H12ClF3N6O2/c16-14-24-12(11-13(25-14)22-7-21-11)20-6-5-10(26)23-8-1-3-9(4-2-8)27-15(17,18)19/h1-4,7H,5-6H2,(H,23,26)(H2,20,21,22,24,25)