1-[(2-cyanopyrimidin-4-yl)-(2,2-dimethylpropyl)amino]-3-[3-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-[(2-cyanopyrimidin-4-yl)-(2,2-dimethylpropyl)amino]-3-[3-(trifluoromethyl)phenyl]urea Openeye Name: 1-[(2-cyanopyrimidin-4-yl)-(2,2-dimethylpropyl)amino]-3-[3-(trifluoromethyl)phenyl]urea CAS Name: 1-[(2-cyano-4-pyrimidinyl)-(2,2-dimethylpropyl)amino]-3-[3-(trifluoromethyl)phenyl]urea IUPAC Name: 1-[(2-cyanopyrimidin-4-yl)-(2,2-dimethylpropyl)amino]-3-[3-(trifluoromethyl)phenyl]urea Traditional Name: 1-[(2-cyanopyrimidin-4-yl)-neopentyl-amino]-3-[3-(trifluoromethyl)phenyl]urea Formula: C18H19F3N6O MolecularWeight: 392.37827

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19F3N6O/c1-17(2,3)11-27(15-7-8-23-14(10-22)25-15)26-16(28)24-13-6-4-5-12(9-13)18(19,20)21/h4-9H,11H2,1-3H3,(H2,24,26,28)