2-[4-oxidanylidene-2-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-yl]ethylazanium

Systemtic Name: 2-[4-oxidanylidene-2-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-yl]ethylazanium Openeye Name: 2-[4-oxo-2-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-yl]ethylammonium CAS Name: 2-[4-oxo-2-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-yl]ethylammonium IUPAC Name: 2-[4-oxo-2-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-yl]ethylazanium Traditional Name: 2-[4-keto-2-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-6-yl]ethylammonium Formula: C13H13F3N3O+ MolecularWeight: 284.25703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=O)C=C(N2)CC[NH3+])C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=O)C=C(N2)CC[NH3+])C(F)(F)F

InChI

InChI=1S/C13H12F3N3O/c14-13(15,16)10-4-2-1-3-9(10)12-18-8(5-6-17)7-11(20)19-12/h1-4,7H,5-6,17H2,(H,18,19,20)/p+1