5-[2-(3-ethoxypropylamino)pyrimidin-4-yl]-2-oxidanylidene-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile

Systemtic Name: 5-[2-(3-ethoxypropylamino)pyrimidin-4-yl]-2-oxidanylidene-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile Openeye Name: 5-[2-(3-ethoxypropylamino)pyrimidin-4-yl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile CAS Name: 5-[2-(3-ethoxypropylamino)-4-pyrimidinyl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile IUPAC Name: 5-[2-(3-ethoxypropylamino)pyrimidin-4-yl]-2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile Traditional Name: 5-[2-(3-ethoxypropylamino)pyrimidin-4-yl]-2-keto-6-[3-(trifluoromethyl)phenyl]-1H-pyridine-3-carbonitrile Formula: C22H20F3N5O2 MolecularWeight: 443.42171

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NC=CC(=N1)C2=C(NC(=O)C(=C2)C#N)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCOCCCNC1=NC=CC(=N1)C2=C(NC(=O)C(=C2)C#N)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C22H20F3N5O2/c1-2-32-10-4-8-27-21-28-9-7-18(29-21)17-12-15(13-26)20(31)30-19(17)14-5-3-6-16(11-14)22(23,24)25/h3,5-7,9,11-12H,2,4,8,10H2,1H3,(H,30,31)(H,27,28,29)