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

Systemtic Name: N-butyl-2-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-butyl-2-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-butyl-2-[[1-(4-fluorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetamide IUPAC Name: N-butyl-2-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-butyl-2-[[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetamide Formula: C17H18FN5OS MolecularWeight: 359.421123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)F

Isomeric SMILES

CCCCNC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)F

InChI

InChI=1S/C17H18FN5OS/c1-2-3-8-19-15(24)10-25-17-14-9-22-23(16(14)20-11-21-17)13-6-4-12(18)5-7-13/h4-7,9,11H,2-3,8,10H2,1H3,(H,19,24)