3-methyl-1-[4-[6-(methylamino)purin-9-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]urea

Systemtic Name: 3-methyl-1-[4-[6-(methylamino)purin-9-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]urea Openeye Name: 3-methyl-1-[4-[6-(methylamino)purin-9-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]urea CAS Name: 3-methyl-1-[4-[6-(methylamino)-9-purinyl]phenyl]-1-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 3-methyl-1-[4-[6-(methylamino)purin-9-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]urea Traditional Name: 3-methyl-1-[4-[6-(methylamino)purin-9-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]urea Formula: C21H18F3N7O MolecularWeight: 441.40913

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18F3N7O/c1-25-18-17-19(28-11-27-18)30(12-29-17)14-6-8-15(9-7-14)31(20(32)26-2)16-5-3-4-13(10-16)21(22,23)24/h3-12H,1-2H3,(H,26,32)(H,25,27,28)