N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]thio]acetamide IUPAC Name: N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-[(6-pyrrolidinopyrimidin-4-yl)thio]acetamide Formula: C18H19F3N4O2S MolecularWeight: 412.42927

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(F)(F)F)NC(=O)CSC2=NC=NC(=C2)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(F)(F)F)NC(=O)CSC2=NC=NC(=C2)N3CCCC3

InChI

InChI=1S/C18H19F3N4O2S/c1-27-14-5-4-12(18(19,20)21)8-13(14)24-16(26)10-28-17-9-15(22-11-23-17)25-6-2-3-7-25/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,24,26)