2-[4-(1-ethyl-5-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine

Systemtic Name: 2-[4-(1-ethyl-5-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine Openeye Name: 2-[4-(1-ethyl-5-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine CAS Name: 2-[[4-(1-ethyl-5-methyl-4-pyrazolyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]ethanamine IUPAC Name: 2-[4-(1-ethyl-5-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine Traditional Name: 2-[[4-(1-ethyl-5-methyl-pyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]ethylamine Formula: C13H16F3N5S MolecularWeight: 331.35985

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C2=CC(=NC(=N2)SCCN)C(F)(F)F)C

Isomeric SMILES

CCN1C(=C(C=N1)C2=CC(=NC(=N2)SCCN)C(F)(F)F)C

InChI

InChI=1S/C13H16F3N5S/c1-3-21-8(2)9(7-18-21)10-6-11(13(14,15)16)20-12(19-10)22-5-4-17/h6-7H,3-5,17H2,1-2H3