4-[[4-(3-acetamidopyrrolidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide

Systemtic Name: 4-[[4-(3-acetamidopyrrolidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide Openeye Name: 4-[[4-(3-acetamidopyrrolidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide CAS Name: 4-[[4-(3-acetamido-1-pyrrolidinyl)-5-(trifluoromethyl)-2-pyrimidinyl]amino]benzamide IUPAC Name: 4-[[4-(3-acetamidopyrrolidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide Traditional Name: 4-[[4-(3-acetamidopyrrolidino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide Formula: C18H19F3N6O2 MolecularWeight: 408.37767

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCN(C1)C2=NC(=NC=C2C(F)(F)F)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC(=O)NC1CCN(C1)C2=NC(=NC=C2C(F)(F)F)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C18H19F3N6O2/c1-10(28)24-13-6-7-27(9-13)16-14(18(19,20)21)8-23-17(26-16)25-12-4-2-11(3-5-12)15(22)29/h2-5,8,13H,6-7,9H2,1H3,(H2,22,29)(H,24,28)(H,23,25,26)