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

Systemtic Name: 4-[[4-(3-acetamidopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide Openeye Name: 4-[[4-(3-acetamidopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide CAS Name: 4-[[4-(3-acetamidopropylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino]benzamide IUPAC Name: 4-[[4-(3-acetamidopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide Traditional Name: 4-[[4-(3-acetamidopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide Formula: C17H19F3N6O2 MolecularWeight: 396.36697

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCNC1=NC(=NC=C1C(F)(F)F)NC2=CC=C(C=C2)C(=O)N

Isomeric SMILES

CC(=O)NCCCNC1=NC(=NC=C1C(F)(F)F)NC2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C17H19F3N6O2/c1-10(27)22-7-2-8-23-15-13(17(18,19)20)9-24-16(26-15)25-12-5-3-11(4-6-12)14(21)28/h3-6,9H,2,7-8H2,1H3,(H2,21,28)(H,22,27)(H2,23,24,25,26)