butyl 2-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanoate

Systemtic Name: butyl 2-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylethanoate Openeye Name: butyl 2-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate CAS Name: 2-[[1-(4-fluorophenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetate Traditional Name: 2-[[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetic acid butyl ester Formula: C17H17FN4O2S MolecularWeight: 360.405883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)F

Isomeric SMILES

CCCCOC(=O)CSC1=NC=NC2=C1C=NN2C3=CC=C(C=C3)F

InChI

InChI=1S/C17H17FN4O2S/c1-2-3-8-24-15(23)10-25-17-14-9-21-22(16(14)19-11-20-17)13-6-4-12(18)5-7-13/h4-7,9,11H,2-3,8,10H2,1H3