1-(4-fluorophenyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)propan-1-one

Systemtic Name: 1-(4-fluorophenyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)propan-1-one Openeye Name: 1-(4-fluorophenyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)propan-1-one CAS Name: 1-(4-fluorophenyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)-1-propanone IUPAC Name: 1-(4-fluorophenyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)propan-1-one Traditional Name: 1-(4-fluorophenyl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)propan-1-one Formula: C14H11FN4OS MolecularWeight: 302.326743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CCSC2=NC=NC3=C2C=NN3)F

Isomeric SMILES

C1=CC(=CC=C1C(=O)CCSC2=NC=NC3=C2C=NN3)F

InChI

InChI=1S/C14H11FN4OS/c15-10-3-1-9(2-4-10)12(20)5-6-21-14-11-7-18-19-13(11)16-8-17-14/h1-4,7-8H,5-6H2,(H,16,17,18,19)