2-[4-[bis(fluoranyl)methyl]-6-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]sulfanylethanamine

Systemtic Name: 2-[4-[bis(fluoranyl)methyl]-6-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]sulfanylethanamine Openeye Name: 2-[4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]sulfanylethanamine CAS Name: 2-[[4-(difluoromethyl)-6-(1-ethyl-4-pyrazolyl)-2-pyrimidinyl]thio]ethanamine IUPAC Name: 2-[4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]sulfanylethanamine Traditional Name: 2-[[4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)pyrimidin-2-yl]thio]ethylamine Formula: C12H15F2N5S MolecularWeight: 299.342806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15F2N5S/c1-2-19-7-8(6-16-19)9-5-10(11(13)14)18-12(17-9)20-4-3-15/h5-7,11H,2-4,15H2,1H3