3-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpropanamide

Systemtic Name: 3-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpropanamide Openeye Name: 3-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpropanamide CAS Name: 3-[[1-(4-fluorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]propanamide IUPAC Name: 3-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpropanamide Traditional Name: 3-[[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]propionamide Formula: C14H12FN5OS MolecularWeight: 317.341383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C3=C(C=N2)C(=NC=N3)SCCC(=O)N)F

Isomeric SMILES

C1=CC(=CC=C1N2C3=C(C=N2)C(=NC=N3)SCCC(=O)N)F

InChI

InChI=1S/C14H12FN5OS/c15-9-1-3-10(4-2-9)20-13-11(7-19-20)14(18-8-17-13)22-6-5-12(16)21/h1-4,7-8H,5-6H2,(H2,16,21)