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

Systemtic Name: N-butyl-2-[6-(2-fluorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-butyl-2-[6-(2-fluorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-butyl-2-[[6-(2-fluorophenyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetamide IUPAC Name: N-butyl-2-[6-(2-fluorophenyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-butyl-2-[[6-(2-fluorophenyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetamide Formula: C23H22FN5OS MolecularWeight: 435.517083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC(=NC2=C1C=NN2C3=CC=CC=C3)C4=CC=CC=C4F

Isomeric SMILES

CCCCNC(=O)CSC1=NC(=NC2=C1C=NN2C3=CC=CC=C3)C4=CC=CC=C4F

InChI

InChI=1S/C23H22FN5OS/c1-2-3-13-25-20(30)15-31-23-18-14-26-29(16-9-5-4-6-10-16)22(18)27-21(28-23)17-11-7-8-12-19(17)24/h4-12,14H,2-3,13,15H2,1H3,(H,25,30)