ethyl 2-azanyl-3-[4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanoate

Systemtic Name: ethyl 2-azanyl-3-[4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanoate Openeye Name: ethyl 2-amino-3-[4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-propanoate CAS Name: 2-amino-3-[[4-(1-methyl-4-pyrazolyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-amino-3-[4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoate Traditional Name: 2-amino-3-[[4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionic acid ethyl ester Formula: C14H16F3N5O2S MolecularWeight: 375.36935

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC1=NC(=CC(=N1)C(F)(F)F)C2=CN(N=C2)C)N

Isomeric SMILES

CCOC(=O)C(CSC1=NC(=CC(=N1)C(F)(F)F)C2=CN(N=C2)C)N

InChI

InChI=1S/C14H16F3N5O2S/c1-3-24-12(23)9(18)7-25-13-20-10(8-5-19-22(2)6-8)4-11(21-13)14(15,16)17/h4-6,9H,3,7,18H2,1-2H3