4-[(6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[(6-ethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)methyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[(6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)methyl]-3-fluoro-benzonitrile CAS Name: 4-[(6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)methyl]-3-fluorobenzonitrile IUPAC Name: 4-[(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-3-fluorobenzonitrile Traditional Name: 4-[(6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl)methyl]-3-fluoro-benzonitrile Formula: C16H12FN3OS MolecularWeight: 313.349383

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)CC3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)CC3=C(C=C(C=C3)C#N)F

InChI

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