N-[5-(2-methylsulfanylpyrimidin-4-yl)-6-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]ethanamide

Systemtic Name: N-[5-(2-methylsulfanylpyrimidin-4-yl)-6-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]ethanamide Openeye Name: N-[5-(2-methylsulfanylpyrimidin-4-yl)-6-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]acetamide CAS Name: N-[5-[2-(methylthio)-4-pyrimidinyl]-6-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]acetamide IUPAC Name: N-[5-(2-methylsulfanylpyrimidin-4-yl)-6-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]acetamide Traditional Name: N-[5-[2-(methylthio)pyrimidin-4-yl]-6-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]acetamide Formula: C20H15F3N6OS MolecularWeight: 444.43291

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NNC2=NC(=C(C=C21)C3=NC(=NC=C3)SC)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CC(=O)NC1=NNC2=NC(=C(C=C21)C3=NC(=NC=C3)SC)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C20H15F3N6OS/c1-10(30)25-17-14-9-13(15-6-7-24-19(26-15)31-2)16(27-18(14)29-28-17)11-4-3-5-12(8-11)20(21,22)23/h3-9H,1-2H3,(H2,25,27,28,29,30)