8-[[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylmethyl]quinoline

Systemtic Name: 8-[[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylmethyl]quinoline Openeye Name: 8-[[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylmethyl]quinoline CAS Name: 8-[[[1-(4-fluorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]methyl]quinoline IUPAC Name: 8-[[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylmethyl]quinoline Traditional Name: 8-[[[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]methyl]quinoline Formula: C21H14FN5S MolecularWeight: 387.432763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)CSC3=NC=NC4=C3C=NN4C5=CC=C(C=C5)F)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)CSC3=NC=NC4=C3C=NN4C5=CC=C(C=C5)F)N=CC=C2

InChI

InChI=1S/C21H14FN5S/c22-16-6-8-17(9-7-16)27-20-18(11-26-27)21(25-13-24-20)28-12-15-4-1-3-14-5-2-10-23-19(14)15/h1-11,13H,12H2