2-[[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylmethyl]indolizine-1-carbonitrile

Systemtic Name: 2-[[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylmethyl]indolizine-1-carbonitrile Openeye Name: 2-[[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylmethyl]indolizine-1-carbonitrile CAS Name: 2-[[[1-(4-fluorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]methyl]-1-indolizinecarbonitrile IUPAC Name: 2-[[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylmethyl]indolizine-1-carbonitrile Traditional Name: 2-[[[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]methyl]indolizine-1-carbonitrile Formula: C21H13FN6S MolecularWeight: 400.431523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CN2C=C1)CSC3=NC=NC4=C3C=NN4C5=CC=C(C=C5)F)C#N

Isomeric SMILES

C1=CC2=C(C(=CN2C=C1)CSC3=NC=NC4=C3C=NN4C5=CC=C(C=C5)F)C#N

InChI

InChI=1S/C21H13FN6S/c22-15-4-6-16(7-5-15)28-20-18(10-26-28)21(25-13-24-20)29-12-14-11-27-8-2-1-3-19(27)17(14)9-23/h1-8,10-11,13H,12H2