2-[6-azanyl-1-(4-fluorophenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[6-azanyl-1-(4-fluorophenyl)-4-oxidanylidene-pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-[6-amino-1-(4-fluorophenyl)-4-oxo-pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[[6-amino-1-(4-fluorophenyl)-4-oxo-2-pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[6-amino-1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[6-amino-1-(4-fluorophenyl)-4-keto-pyrimidin-2-yl]thio]acetonitrile Formula: C12H9FN4OS MolecularWeight: 276.289463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=CC(=O)N=C2SCC#N)N)F

Isomeric SMILES

C1=CC(=CC=C1N2C(=CC(=O)N=C2SCC#N)N)F

InChI

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