3-[[4-(2-acetamidoethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide

Systemtic Name: 3-[[4-(2-acetamidoethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide Openeye Name: 3-[[4-(2-acetamidoethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide CAS Name: 3-[[4-(2-acetamidoethylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino]benzamide IUPAC Name: 3-[[4-(2-acetamidoethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide Traditional Name: 3-[[4-(2-acetamidoethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide Formula: C16H17F3N6O2 MolecularWeight: 382.34039

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC=C1C(F)(F)F)NC2=CC=CC(=C2)C(=O)N

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC=C1C(F)(F)F)NC2=CC=CC(=C2)C(=O)N

InChI

InChI=1S/C16H17F3N6O2/c1-9(26)21-5-6-22-14-12(16(17,18)19)8-23-15(25-14)24-11-4-2-3-10(7-11)13(20)27/h2-4,7-8H,5-6H2,1H3,(H2,20,27)(H,21,26)(H2,22,23,24,25)