2-chloranyl-N-[1-methyl-6-methylsulfanyl-4-[[3-(trifluoromethyl)phenyl]amino]pyrazolo[3,4-d]pyrimidin-3-yl]ethanamide

Systemtic Name: 2-chloranyl-N-[1-methyl-6-methylsulfanyl-4-[[3-(trifluoromethyl)phenyl]amino]pyrazolo[3,4-d]pyrimidin-3-yl]ethanamide Openeye Name: 2-chloro-N-[1-methyl-6-methylsulfanyl-4-[3-(trifluoromethyl)anilino]pyrazolo[3,4-d]pyrimidin-3-yl]acetamide CAS Name: 2-chloro-N-[1-methyl-6-(methylthio)-4-[3-(trifluoromethyl)anilino]-3-pyrazolo[3,4-d]pyrimidinyl]acetamide IUPAC Name: 2-chloro-N-[1-methyl-6-methylsulfanyl-4-[3-(trifluoromethyl)anilino]pyrazolo[3,4-d]pyrimidin-3-yl]acetamide Traditional Name: 2-chloro-N-[1-methyl-6-(methylthio)-4-[3-(trifluoromethyl)anilino]pyrazolo[3,4-d]pyrimidin-3-yl]acetamide Formula: C16H14ClF3N6OS MolecularWeight: 430.83517

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)SC)NC3=CC=CC(=C3)C(F)(F)F)C(=N1)NC(=O)CCl

Isomeric SMILES

CN1C2=C(C(=NC(=N2)SC)NC3=CC=CC(=C3)C(F)(F)F)C(=N1)NC(=O)CCl

InChI

InChI=1S/C16H14ClF3N6OS/c1-26-14-11(13(25-26)22-10(27)7-17)12(23-15(24-14)28-2)21-9-5-3-4-8(6-9)16(18,19)20/h3-6H,7H2,1-2H3,(H,21,23,24)(H,22,25,27)