3-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-4-fluoro-benzonitrile CAS Name: 3-[[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]-4-fluorobenzonitrile Traditional Name: 3-[[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]methyl]-4-fluoro-benzonitrile Formula: C12H9FN4OS MolecularWeight: 276.289463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)CSC2=NC(=O)C=C(N2)N)F

Isomeric SMILES

C1=CC(=C(C=C1C#N)CSC2=NC(=O)C=C(N2)N)F

InChI

InChI=1S/C12H9FN4OS/c13-9-2-1-7(5-14)3-8(9)6-19-12-16-10(15)4-11(18)17-12/h1-4H,6H2,(H3,15,16,17,18)