3-[7-oxidanylidene-6-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methylamino]pteridin-8-yl]propanamide

Systemtic Name: 3-[7-oxidanylidene-6-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methylamino]pteridin-8-yl]propanamide Openeye Name: 3-[7-oxo-6-(3-pyridyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]pteridin-8-yl]propanamide CAS Name: 3-[7-oxo-6-(3-pyridinyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]-8-pteridinyl]propanamide IUPAC Name: 3-[7-oxo-6-pyridin-3-yl-2-[[3-(trifluoromethyl)phenyl]methylamino]pteridin-8-yl]propanamide Traditional Name: 3-[7-keto-6-(3-pyridyl)-2-[[3-(trifluoromethyl)benzyl]amino]pteridin-8-yl]propionamide Formula: C22H18F3N7O2 MolecularWeight: 469.41923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CNC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CN=CC=C4)CCC(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CNC2=NC=C3C(=N2)N(C(=O)C(=N3)C4=CN=CC=C4)CCC(=O)N

InChI

InChI=1S/C22H18F3N7O2/c23-22(24,25)15-5-1-3-13(9-15)10-28-21-29-12-16-19(31-21)32(8-6-17(26)33)20(34)18(30-16)14-4-2-7-27-11-14/h1-5,7,9,11-12H,6,8,10H2,(H2,26,33)(H,28,29,31)