2-[2-azanyl-5-(hydroxymethyl)-6-phenylsulfanyl-pyrimidin-4-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[2-azanyl-5-(hydroxymethyl)-6-phenylsulfanyl-pyrimidin-4-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[2-amino-5-(hydroxymethyl)-6-phenylsulfanyl-pyrimidin-4-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[2-amino-5-(hydroxymethyl)-6-(phenylthio)-4-pyrimidinyl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[2-amino-5-(hydroxymethyl)-6-phenylsulfanylpyrimidin-4-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[[2-amino-5-methylol-6-(phenylthio)pyrimidin-4-yl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C20H17F3N4O2S2 MolecularWeight: 466.49979

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C(=NC(=N2)N)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)CO

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C(=NC(=N2)N)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)CO

InChI

InChI=1S/C20H17F3N4O2S2/c21-20(22,23)12-5-4-6-13(9-12)25-16(29)11-30-17-15(10-28)18(27-19(24)26-17)31-14-7-2-1-3-8-14/h1-9,28H,10-11H2,(H,25,29)(H2,24,26,27)