3-(7H-purin-6-ylamino)-N-[4-(trifluoromethyloxy)phenyl]propanamide

Systemtic Name: 3-(7H-purin-6-ylamino)-N-[4-(trifluoromethyloxy)phenyl]propanamide Openeye Name: 3-(7H-purin-6-ylamino)-N-[4-(trifluoromethoxy)phenyl]propanamide CAS Name: 3-(7H-purin-6-ylamino)-N-[4-(trifluoromethoxy)phenyl]propanamide IUPAC Name: 3-(7H-purin-6-ylamino)-N-[4-(trifluoromethoxy)phenyl]propanamide Traditional Name: 3-(7H-purin-6-ylamino)-N-[4-(trifluoromethoxy)phenyl]propionamide Formula: C15H13F3N6O2 MolecularWeight: 366.29793

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13F3N6O2/c16-15(17,18)26-10-3-1-9(2-4-10)24-11(25)5-6-19-13-12-14(21-7-20-12)23-8-22-13/h1-4,7-8H,5-6H2,(H,24,25)(H2,19,20,21,22,23)