2,4-bis(fluoranyl)-N-[2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]benzamide

Systemtic Name: 2,4-bis(fluoranyl)-N-[2-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]benzamide Openeye Name: 2,4-difluoro-N-[2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]benzamide CAS Name: 2,4-difluoro-N-[2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]benzamide IUPAC Name: 2,4-difluoro-N-[2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]benzamide Traditional Name: 2,4-difluoro-N-[2-(4-keto-6-propyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]benzamide Formula: C21H17F2N5O2S MolecularWeight: 441.453786

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=C(C=C(C=C4)F)F

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C21H17F2N5O2S/c1-2-4-13-10-19(29)26-21(24-13)28-18(11-16(27-28)17-5-3-8-31-17)25-20(30)14-7-6-12(22)9-15(14)23/h3,5-11H,2,4H2,1H3,(H,25,30)(H,24,26,29)