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

Systemtic Name: 3-[[4-(2-acetamidoethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-pyridin-2-yl-benzamide Openeye Name: 3-[[4-(2-acetamidoethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(2-pyridyl)benzamide CAS Name: 3-[[4-(2-acetamidoethylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino]-N-(2-pyridinyl)benzamide IUPAC Name: 3-[[4-(2-acetamidoethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-pyridin-2-ylbenzamide Traditional Name: 3-[[4-(2-acetamidoethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-(2-pyridyl)benzamide Formula: C21H20F3N7O2 MolecularWeight: 459.42441

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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)NC3=CC=CC=N3

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC=C1C(F)(F)F)NC2=CC=CC(=C2)C(=O)NC3=CC=CC=N3

InChI

InChI=1S/C21H20F3N7O2/c1-13(32)25-9-10-27-18-16(21(22,23)24)12-28-20(31-18)29-15-6-4-5-14(11-15)19(33)30-17-7-2-3-8-26-17/h2-8,11-12H,9-10H2,1H3,(H,25,32)(H,26,30,33)(H2,27,28,29,31)