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

Systemtic Name: 4-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide Openeye Name: 4-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide CAS Name: 4-[[5-(3-fluorophenyl)-2-pyrimidinyl]amino]-N-[[4-(methylthio)phenyl]methyl]benzamide IUPAC Name: 4-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide Traditional Name: 4-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-[4-(methylthio)benzyl]benzamide Formula: C25H21FN4OS MolecularWeight: 444.523843

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)NC3=NC=C(C=N3)C4=CC(=CC=C4)F

Isomeric SMILES

CSC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)NC3=NC=C(C=N3)C4=CC(=CC=C4)F

InChI

InChI=1S/C25H21FN4OS/c1-32-23-11-5-17(6-12-23)14-27-24(31)18-7-9-22(10-8-18)30-25-28-15-20(16-29-25)19-3-2-4-21(26)13-19/h2-13,15-16H,14H2,1H3,(H,27,31)(H,28,29,30)