6-azanyl-2-[2,2,3,3-tetrakis(fluoranyl)propylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[2,2,3,3-tetrakis(fluoranyl)propylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-(2,2,3,3-tetrafluoropropylsulfanyl)-1H-pyrimidin-4-one CAS Name: 6-amino-2-(2,2,3,3-tetrafluoropropylthio)-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-(2,2,3,3-tetrafluoropropylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 6-amino-2-(2,2,3,3-tetrafluoropropylthio)-1H-pyrimidin-4-one Formula: C7H7F4N3OS MolecularWeight: 257.208593

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H7F4N3OS/c8-5(9)7(10,11)2-16-6-13-3(12)1-4(15)14-6/h1,5H,2H2,(H3,12,13,14,15)