2-(5-azanyl-6-oxidanylidene-2-pyridin-4-yl-pyrimidin-1-yl)-N-[4,4,4-tris(fluoranyl)-3-oxidanylidene-1-phenyl-butan-2-yl]ethanamide

Systemtic Name: 2-(5-azanyl-6-oxidanylidene-2-pyridin-4-yl-pyrimidin-1-yl)-N-[4,4,4-tris(fluoranyl)-3-oxidanylidene-1-phenyl-butan-2-yl]ethanamide Openeye Name: 2-[5-amino-6-oxo-2-(4-pyridyl)pyrimidin-1-yl]-N-(1-benzyl-3,3,3-trifluoro-2-oxo-propyl)acetamide CAS Name: 2-(5-amino-6-oxo-2-pyridin-4-yl-1-pyrimidinyl)-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide IUPAC Name: 2-(5-amino-6-oxo-2-pyridin-4-ylpyrimidin-1-yl)-N-(4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl)acetamide Traditional Name: 2-[5-amino-6-keto-2-(4-pyridyl)pyrimidin-1-yl]-N-(1-benzyl-3,3,3-trifluoro-2-keto-propyl)acetamide Formula: C21H18F3N5O3 MolecularWeight: 445.39453

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)C(F)(F)F)NC(=O)CN2C(=NC=C(C2=O)N)C3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)C(F)(F)F)NC(=O)CN2C(=NC=C(C2=O)N)C3=CC=NC=C3

InChI

InChI=1S/C21H18F3N5O3/c22-21(23,24)18(31)16(10-13-4-2-1-3-5-13)28-17(30)12-29-19(14-6-8-26-9-7-14)27-11-15(25)20(29)32/h1-9,11,16H,10,12,25H2,(H,28,30)