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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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