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

Systemtic Name: N-methyl-3-[4-[[4-[6-(methylamino)purin-9-yl]phenyl]carbamoylamino]-2-(trifluoromethyl)phenyl]propanamide Openeye Name: N-methyl-3-[4-[[4-[6-(methylamino)purin-9-yl]phenyl]carbamoylamino]-2-(trifluoromethyl)phenyl]propanamide CAS Name: N-methyl-3-[4-[[[4-[6-(methylamino)-9-purinyl]anilino]-oxomethyl]amino]-2-(trifluoromethyl)phenyl]propanamide IUPAC Name: N-methyl-3-[4-[[4-[6-(methylamino)purin-9-yl]phenyl]carbamoylamino]-2-(trifluoromethyl)phenyl]propanamide Traditional Name: N-methyl-3-[4-[[4-[6-(methylamino)purin-9-yl]phenyl]carbamoylamino]-2-(trifluoromethyl)phenyl]propionamide Formula: C24H23F3N8O2 MolecularWeight: 512.48703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC2=C1N=CN2C3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)CCC(=O)NC)C(F)(F)F

Isomeric SMILES

CNC1=NC=NC2=C1N=CN2C3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)CCC(=O)NC)C(F)(F)F

InChI

InChI=1S/C24H23F3N8O2/c1-28-19(36)10-4-14-3-5-16(11-18(14)24(25,26)27)34-23(37)33-15-6-8-17(9-7-15)35-13-32-20-21(29-2)30-12-31-22(20)35/h3,5-9,11-13H,4,10H2,1-2H3,(H,28,36)(H,29,30,31)(H2,33,34,37)