2-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine

Systemtic Name: 2-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine Openeye Name: 2-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine CAS Name: 2-[[4-(1,3-dimethyl-4-pyrazolyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]ethanamine IUPAC Name: 2-[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine Traditional Name: 2-[[4-(1,3-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]ethylamine Formula: C12H14F3N5S MolecularWeight: 317.33327

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=CC(=NC(=N2)SCCN)C(F)(F)F)C

Isomeric SMILES

CC1=NN(C=C1C2=CC(=NC(=N2)SCCN)C(F)(F)F)C

InChI

InChI=1S/C12H14F3N5S/c1-7-8(6-20(2)19-7)9-5-10(12(13,14)15)18-11(17-9)21-4-3-16/h5-6H,3-4,16H2,1-2H3