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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[(6-cyclopropyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-(6-cyclopropyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[(6-cyclopropyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C22H17ClFN5OS MolecularWeight: 453.919683

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)SCC(=O)NC5=CC(=C(C=C5)F)Cl

Isomeric SMILES

C1CC1C2=NC3=C(C=NN3C4=CC=CC=C4)C(=N2)SCC(=O)NC5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C22H17ClFN5OS/c23-17-10-14(8-9-18(17)24)26-19(30)12-31-22-16-11-25-29(15-4-2-1-3-5-15)21(16)27-20(28-22)13-6-7-13/h1-5,8-11,13H,6-7,12H2,(H,26,30)