4-(1-oxidanidylpyridin-1-ium-4-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine

Systemtic Name: 4-(1-oxidanidylpyridin-1-ium-4-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine Openeye Name: 4-(1-oxidopyridin-1-ium-4-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine CAS Name: 4-(1-oxido-4-pyridin-1-iumyl)-N-[3-(trifluoromethyl)phenyl]-2-pyrimidinamine IUPAC Name: 4-(1-oxidopyridin-1-ium-4-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine Traditional Name: [4-(1-oxidopyridin-1-ium-4-yl)pyrimidin-2-yl]-[3-(trifluoromethyl)phenyl]amine Formula: C16H11F3N4O MolecularWeight: 332.27995

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=CC=[N+](C=C3)[O-])C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=CC=[N+](C=C3)[O-])C(F)(F)F

InChI

InChI=1S/C16H11F3N4O/c17-16(18,19)12-2-1-3-13(10-12)21-15-20-7-4-14(22-15)11-5-8-23(24)9-6-11/h1-10H,(H,20,21,22)