4-fluoranyl-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylic acid

Systemtic Name: 4-fluoranyl-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylic acid Openeye Name: 4-fluoro-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]benzothiophene-2-carboxylic acid CAS Name: 4-fluoro-3-[[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-1-benzothiophene-2-carboxylic acid IUPAC Name: 4-fluoro-3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylic acid Traditional Name: 4-fluoro-3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]benzothiophene-2-carboxylic acid Formula: C16H11FN4O2S2 MolecularWeight: 374.412543

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC3=C(SC4=CC=CC(=C43)F)C(=O)O

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC3=C(SC4=CC=CC(=C43)F)C(=O)O

InChI

InChI=1S/C16H11FN4O2S2/c1-21-14-8(5-20-21)15(19-7-18-14)24-6-9-12-10(17)3-2-4-11(12)25-13(9)16(22)23/h2-5,7H,6H2,1H3,(H,22,23)