2-[bis(fluoranyl)methylsulfanyl]-6-methyl-5-[3-oxidanylidene-3-(pyridin-2-ylmethylamino)propyl]pyrimidin-4-olate

Systemtic Name: 2-[bis(fluoranyl)methylsulfanyl]-6-methyl-5-[3-oxidanylidene-3-(pyridin-2-ylmethylamino)propyl]pyrimidin-4-olate Openeye Name: 2-(difluoromethylsulfanyl)-6-methyl-5-[3-oxo-3-(2-pyridylmethylamino)propyl]pyrimidin-4-olate CAS Name: 2-(difluoromethylthio)-6-methyl-5-[3-oxo-3-(2-pyridinylmethylamino)propyl]-4-pyrimidinolate IUPAC Name: 2-(difluoromethylsulfanyl)-6-methyl-5-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]pyrimidin-4-olate Traditional Name: 2-(difluoromethylthio)-5-[3-keto-3-(2-pyridylmethylamino)propyl]-6-methyl-pyrimidin-4-olate Formula: C15H15F2N4O2S- MolecularWeight: 353.367006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC(F)F)[O-])CCC(=O)NCC2=CC=CC=N2

Isomeric SMILES

CC1=C(C(=NC(=N1)SC(F)F)[O-])CCC(=O)NCC2=CC=CC=N2

InChI

InChI=1S/C15H16F2N4O2S/c1-9-11(13(23)21-15(20-9)24-14(16)17)5-6-12(22)19-8-10-4-2-3-7-18-10/h2-4,7,14H,5-6,8H2,1H3,(H,19,22)(H,20,21,23)/p-1