6-azanyl-2-sulfanylidene-5-[2,2,2-tris(fluoranyl)ethyl]-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-sulfanylidene-5-[2,2,2-tris(fluoranyl)ethyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-thioxo-5-(2,2,2-trifluoroethyl)-1H-pyrimidin-4-one CAS Name: 6-amino-2-sulfanylidene-5-(2,2,2-trifluoroethyl)-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-sulfanylidene-5-(2,2,2-trifluoroethyl)-1H-pyrimidin-4-one Traditional Name: 6-amino-2-thioxo-5-(2,2,2-trifluoroethyl)-1H-pyrimidin-4-one Formula: C6H6F3N3OS MolecularWeight: 225.19155

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Descriptors Computed from Structure

Canonical SMILES:

C(C1=C(NC(=S)NC1=O)N)C(F)(F)F

Isomeric SMILES

C(C1=C(NC(=S)NC1=O)N)C(F)(F)F

InChI

InChI=1S/C6H6F3N3OS/c7-6(8,9)1-2-3(10)11-5(14)12-4(2)13/h1H2,(H4,10,11,12,13,14)