N-(2-chloranyl-5-methoxy-phenyl)-2-(1-oxidanidylpyridin-1-ium-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine

Systemtic Name: N-(2-chloranyl-5-methoxy-phenyl)-2-(1-oxidanidylpyridin-1-ium-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine Openeye Name: N-(2-chloro-5-methoxy-phenyl)-2-(1-oxidopyridin-1-ium-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine CAS Name: N-(2-chloro-5-methoxyphenyl)-2-(1-oxido-4-pyridin-1-iumyl)-6-(trifluoromethyl)-4-pyrimidinamine IUPAC Name: N-(2-chloro-5-methoxyphenyl)-2-(1-oxidopyridin-1-ium-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine Traditional Name: (2-chloro-5-methoxy-phenyl)-[2-(1-oxidopyridin-1-ium-4-yl)-6-(trifluoromethyl)pyrimidin-4-yl]amine Formula: C17H12ClF3N4O2 MolecularWeight: 396.75099

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Cl)NC2=NC(=NC(=C2)C(F)(F)F)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)Cl)NC2=NC(=NC(=C2)C(F)(F)F)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C17H12ClF3N4O2/c1-27-11-2-3-12(18)13(8-11)22-15-9-14(17(19,20)21)23-16(24-15)10-4-6-25(26)7-5-10/h2-9H,1H3,(H,22,23,24)