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

Systemtic Name: 4-[[4-(2-benzamidoethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide Openeye Name: 4-[[4-(2-benzamidoethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide CAS Name: 4-[[4-(2-benzamidoethylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino]benzamide IUPAC Name: 4-[[4-(2-benzamidoethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide Traditional Name: 4-[[4-(2-benzamidoethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide Formula: C21H19F3N6O2 MolecularWeight: 444.40977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCCNC2=NC(=NC=C2C(F)(F)F)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCCNC2=NC(=NC=C2C(F)(F)F)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H19F3N6O2/c22-21(23,24)16-12-28-20(29-15-8-6-13(7-9-15)17(25)31)30-18(16)26-10-11-27-19(32)14-4-2-1-3-5-14/h1-9,12H,10-11H2,(H2,25,31)(H,27,32)(H2,26,28,29,30)