N-cyclopropyl-2-[6-(2-fluorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-cyclopropyl-2-[6-(2-fluorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-cyclopropyl-2-[6-(2-fluorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-cyclopropyl-2-[[6-(2-fluorophenyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetamide IUPAC Name: N-cyclopropyl-2-[6-(2-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-cyclopropyl-2-[[6-(2-fluorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetamide Formula: C22H18FN5OS MolecularWeight: 419.474623

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CSC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C5=CC=CC=C5F

Isomeric SMILES

C1CC1NC(=O)CSC2=NC(=NC3=C2C=NN3C4=CC=CC=C4)C5=CC=CC=C5F

InChI

InChI=1S/C22H18FN5OS/c23-18-9-5-4-8-16(18)20-26-21-17(12-24-28(21)15-6-2-1-3-7-15)22(27-20)30-13-19(29)25-14-10-11-14/h1-9,12,14H,10-11,13H2,(H,25,29)