2-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoyl-methyl-amino]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylethanoyl-methyl-amino]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylacetyl]-methyl-amino]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]acetyl]-methyl-amino]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C17H15F3N6O2S MolecularWeight: 424.40021

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)CSC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1C(F)(F)F)C(=O)CSC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C17H15F3N6O2S/c1-26(14(28)9-29-16-23-7-10(6-21)15(22)25-16)8-13(27)24-12-5-3-2-4-11(12)17(18,19)20/h2-5,7H,8-9H2,1H3,(H,24,27)(H2,22,23,25)