pyrimidin-2-amine; [3-(trifluoromethyl)phenyl] sulfate

Systemtic Name: pyrimidin-2-amine; [3-(trifluoromethyl)phenyl] sulfate Openeye Name: pyrimidin-2-amine; [3-(trifluoromethyl)phenyl] sulfate CAS Name: 2-pyrimidinamine; [3-(trifluoromethyl)phenyl] sulfate IUPAC Name: pyrimidin-2-amine; [3-(trifluoromethyl)phenyl] sulfate Traditional Name: 2-pyrimidylamine; [3-(trifluoromethyl)phenyl] sulfate Formula: C11H9F3N3O4S- MolecularWeight: 336.26707

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OS(=O)(=O)[O-])C(F)(F)F.C1=CN=C(N=C1)N

Isomeric SMILES

C1=CC(=CC(=C1)OS(=O)(=O)[O-])C(F)(F)F.C1=CN=C(N=C1)N

InChI

InChI=1S/C7H5F3O4S.C4H5N3/c8-7(9,10)5-2-1-3-6(4-5)14-15(11,12)13;5-4-6-2-1-3-7-4/h1-4H,(H,11,12,13);1-3H,(H2,5,6,7)/p-1