1-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]-3-[3-(trifluoromethyl)phenyl]urea; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 1-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]-3-[3-(trifluoromethyl)phenyl]urea; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 1-[(2-cyanopyrimidin-4-yl)-isobutyl-amino]-3-[3-(trifluoromethyl)phenyl]urea; 2,2,2-trifluoroacetic acid CAS Name: 1-[(2-cyano-4-pyrimidinyl)-(2-methylpropyl)amino]-3-[3-(trifluoromethyl)phenyl]urea; 2,2,2-trifluoroacetic acid IUPAC Name: 1-[(2-cyanopyrimidin-4-yl)-(2-methylpropyl)amino]-3-[3-(trifluoromethyl)phenyl]urea; 2,2,2-trifluoroacetic acid Traditional Name: 1-[(2-cyanopyrimidin-4-yl)-isobutyl-amino]-3-[3-(trifluoromethyl)phenyl]urea; 2,2,2-trifluoroacetic acid Formula: C19H18F6N6O3 MolecularWeight: 492.375039

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1=NC(=NC=C1)C#N)NC(=O)NC2=CC=CC(=C2)C(F)(F)F.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC(C)CN(C1=NC(=NC=C1)C#N)NC(=O)NC2=CC=CC(=C2)C(F)(F)F.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C17H17F3N6O.C2HF3O2/c1-11(2)10-26(15-6-7-22-14(9-21)24-15)25-16(27)23-13-5-3-4-12(8-13)17(18,19)20;3-2(4,5)1(6)7/h3-8,11H,10H2,1-2H3,(H2,23,25,27);(H,6,7)