2-[2-fluoranyl-4-[(2R)-1-[(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)carbonyl]pyrrolidin-2-yl]phenyl]ethanenitrile

Systemtic Name: 2-[2-fluoranyl-4-[(2R)-1-[(4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)carbonyl]pyrrolidin-2-yl]phenyl]ethanenitrile Openeye Name: 2-[2-fluoro-4-[(2R)-1-(4-oxo-2-thioxo-1H-pyrimidine-5-carbonyl)pyrrolidin-2-yl]phenyl]acetonitrile CAS Name: 2-[2-fluoro-4-[(2R)-1-[oxo-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]-2-pyrrolidinyl]phenyl]acetonitrile IUPAC Name: 2-[2-fluoro-4-[(2R)-1-(4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonyl)pyrrolidin-2-yl]phenyl]acetonitrile Traditional Name: 2-[2-fluoro-4-[(2R)-1-(4-keto-2-thioxo-1H-pyrimidine-5-carbonyl)pyrrolidin-2-yl]phenyl]acetonitrile Formula: C17H15FN4O2S MolecularWeight: 358.390003

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CNC(=S)NC2=O)C3=CC(=C(C=C3)CC#N)F

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)C2=CNC(=S)NC2=O)C3=CC(=C(C=C3)CC#N)F

InChI

InChI=1S/C17H15FN4O2S/c18-13-8-11(4-3-10(13)5-6-19)14-2-1-7-22(14)16(24)12-9-20-17(25)21-15(12)23/h3-4,8-9,14H,1-2,5,7H2,(H2,20,21,23,25)/t14-/m1/s1