2-azanyl-N-[9-[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]purin-6-yl]propanamide

Systemtic Name: 2-azanyl-N-[9-[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]purin-6-yl]propanamide Openeye Name: 2-amino-N-[9-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]purin-6-yl]propanamide CAS Name: 2-amino-N-[9-[4-[[[4-chloro-3-(trifluoromethyl)anilino]-oxomethyl]amino]phenyl]-6-purinyl]propanamide IUPAC Name: 2-amino-N-[9-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]purin-6-yl]propanamide Traditional Name: 2-amino-N-[9-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]purin-6-yl]propionamide Formula: C22H18ClF3N8O2 MolecularWeight: 518.87893

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NC2=C1N=CN2C3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F)N

Isomeric SMILES

CC(C(=O)NC1=NC=NC2=C1N=CN2C3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F)N

InChI

InChI=1S/C22H18ClF3N8O2/c1-11(27)20(35)33-18-17-19(29-9-28-18)34(10-30-17)14-5-2-12(3-6-14)31-21(36)32-13-4-7-16(23)15(8-13)22(24,25)26/h2-11H,27H2,1H3,(H2,31,32,36)(H,28,29,33,35)