3-fluoranyl-4-methoxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide

Systemtic Name: 3-fluoranyl-4-methoxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide Openeye Name: 3-fluoro-4-methoxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide CAS Name: 3-fluoro-4-methoxy-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]benzamide IUPAC Name: 3-fluoro-4-methoxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide Traditional Name: 3-fluoro-4-methoxy-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]benzamide Formula: C20H16FN5O2S MolecularWeight: 409.436743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4)F

InChI

InChI=1S/C20H16FN5O2S/c1-28-17-6-5-13(8-16(17)21)19(27)25-14-4-2-3-12(7-14)10-29-20-15-9-24-26-18(15)22-11-23-20/h2-9,11H,10H2,1H3,(H,25,27)(H,22,23,24,26)