2-[4-[bis(fluoranyl)methyl]-6-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanylethanamine

Systemtic Name: 2-[4-[bis(fluoranyl)methyl]-6-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanylethanamine Openeye Name: 2-[4-(difluoromethyl)-6-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]sulfanylethanamine CAS Name: 2-[[4-(difluoromethyl)-6-(1-ethyl-3-methyl-4-pyrazolyl)-2-pyrimidinyl]thio]ethanamine IUPAC Name: 2-[4-(difluoromethyl)-6-(1-ethyl-3-methylpyrazol-4-yl)pyrimidin-2-yl]sulfanylethanamine Traditional Name: 2-[[4-(difluoromethyl)-6-(1-ethyl-3-methyl-pyrazol-4-yl)pyrimidin-2-yl]thio]ethylamine Formula: C13H17F2N5S MolecularWeight: 313.369386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17F2N5S/c1-3-20-7-9(8(2)19-20)10-6-11(12(14)15)18-13(17-10)21-5-4-16/h6-7,12H,3-5,16H2,1-2H3