3-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-phenyl-propanamide

Systemtic Name: 3-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-phenyl-propanamide Openeye Name: 3-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-phenyl-propanamide CAS Name: 3-[[1-(4-fluorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-phenylpropanamide IUPAC Name: 3-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-phenylpropanamide Traditional Name: 3-[[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-N-phenyl-propionamide Formula: C20H16FN5OS MolecularWeight: 393.437343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)F

InChI

InChI=1S/C20H16FN5OS/c21-14-6-8-16(9-7-14)26-19-17(12-24-26)20(23-13-22-19)28-11-10-18(27)25-15-4-2-1-3-5-15/h1-9,12-13H,10-11H2,(H,25,27)