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

Systemtic Name: 6-azanyl-2-[2,2,2-tris(fluoranyl)ethylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-(2,2,2-trifluoroethylsulfanyl)-1H-pyrimidin-4-one CAS Name: 6-amino-2-(2,2,2-trifluoroethylthio)-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-(2,2,2-trifluoroethylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 6-amino-2-(2,2,2-trifluoroethylthio)-1H-pyrimidin-4-one Formula: C6H6F3N3OS MolecularWeight: 225.19155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H6F3N3OS/c7-6(8,9)2-14-5-11-3(10)1-4(13)12-5/h1H,2H2,(H3,10,11,12,13)