2-[2-ethyl-5-(4-fluorophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanenitrile

Systemtic Name: 2-[2-ethyl-5-(4-fluorophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-[2-ethyl-5-(4-fluorophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetonitrile CAS Name: 2-[2-ethyl-5-(4-fluorophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[2-ethyl-5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetonitrile Traditional Name: 2-[2-ethyl-5-(4-fluorophenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]acetonitrile Formula: C16H12FN3OS MolecularWeight: 313.349383

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)N1CC#N

Isomeric SMILES

CCC1=NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)N1CC#N

InChI

InChI=1S/C16H12FN3OS/c1-2-13-19-15-14(16(21)20(13)8-7-18)12(9-22-15)10-3-5-11(17)6-4-10/h3-6,9H,2,8H2,1H3