1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[4-[8-(2-methoxyethoxy)-6-(methylamino)purin-9-yl]phenyl]urea

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[4-[8-(2-methoxyethoxy)-6-(methylamino)purin-9-yl]phenyl]urea Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[8-(2-methoxyethoxy)-6-(methylamino)purin-9-yl]phenyl]urea CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[8-(2-methoxyethoxy)-6-(methylamino)-9-purinyl]phenyl]urea IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[8-(2-methoxyethoxy)-6-(methylamino)purin-9-yl]phenyl]urea Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[8-(2-methoxyethoxy)-6-(methylamino)purin-9-yl]phenyl]urea Formula: C23H21ClF3N7O3 MolecularWeight: 535.90615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=NC2=C1N=C(N2C3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F)OCCOC

Isomeric SMILES

CNC1=NC=NC2=C1N=C(N2C3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F)OCCOC

InChI

InChI=1S/C23H21ClF3N7O3/c1-28-19-18-20(30-12-29-19)34(22(33-18)37-10-9-36-2)15-6-3-13(4-7-15)31-21(35)32-14-5-8-17(24)16(11-14)23(25,26)27/h3-8,11-12H,9-10H2,1-2H3,(H,28,29,30)(H2,31,32,35)