N-butyl-4-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide

Systemtic Name: N-butyl-4-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide Openeye Name: N-butyl-4-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide CAS Name: N-butyl-4-[[5-(3-fluorophenyl)-2-pyrimidinyl]amino]benzamide IUPAC Name: N-butyl-4-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide Traditional Name: N-butyl-4-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]benzamide Formula: C21H21FN4O MolecularWeight: 364.416043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=C(C=C1)NC2=NC=C(C=N2)C3=CC(=CC=C3)F

Isomeric SMILES

CCCCNC(=O)C1=CC=C(C=C1)NC2=NC=C(C=N2)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H21FN4O/c1-2-3-11-23-20(27)15-7-9-19(10-8-15)26-21-24-13-17(14-25-21)16-5-4-6-18(22)12-16/h4-10,12-14H,2-3,11H2,1H3,(H,23,27)(H,24,25,26)