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

Systemtic Name: 4-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylbutanenitrile Openeye Name: 4-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylbutanenitrile CAS Name: 4-[[1-(4-fluorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]butanenitrile IUPAC Name: 4-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylbutanenitrile Traditional Name: 4-[[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]butyronitrile Formula: C15H12FN5S MolecularWeight: 313.352683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C3=C(C=N2)C(=NC=N3)SCCCC#N)F

Isomeric SMILES

C1=CC(=CC=C1N2C3=C(C=N2)C(=NC=N3)SCCCC#N)F

InChI

InChI=1S/C15H12FN5S/c16-11-3-5-12(6-4-11)21-14-13(9-20-21)15(19-10-18-14)22-8-2-1-7-17/h3-6,9-10H,1-2,8H2