4-[[1-(4-fluorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[1-(4-fluorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[1-(4-fluorophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]methyl]benzonitrile CAS Name: 4-[[1-(4-fluorophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]methyl]benzonitrile IUPAC Name: 4-[[1-(4-fluorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]methyl]benzonitrile Traditional Name: 4-[[1-(4-fluorophenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]methyl]benzonitrile Formula: C19H12FN5O MolecularWeight: 345.329883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)F)C#N

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)F)C#N

InChI

InChI=1S/C19H12FN5O/c20-15-5-7-16(8-6-15)25-18-17(10-23-25)19(26)24(12-22-18)11-14-3-1-13(9-21)2-4-14/h1-8,10,12H,11H2