2-[3-azanyl-1,1,1-tris(fluoranyl)propan-2-yl]sulfanyl-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[3-azanyl-1,1,1-tris(fluoranyl)propan-2-yl]sulfanyl-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[1-(aminomethyl)-2,2,2-trifluoro-ethyl]sulfanyl-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(3-amino-1,1,1-trifluoropropan-2-yl)thio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-(3-amino-1,1,1-trifluoropropan-2-yl)sulfanyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[[1-(aminomethyl)-2,2,2-trifluoro-ethyl]thio]-6-methyl-1H-pyrimidin-4-one Formula: C8H10F3N3OS MolecularWeight: 253.24471

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SC(CN)C(F)(F)F

Isomeric SMILES

CC1=CC(=O)N=C(N1)SC(CN)C(F)(F)F

InChI

InChI=1S/C8H10F3N3OS/c1-4-2-6(15)14-7(13-4)16-5(3-12)8(9,10)11/h2,5H,3,12H2,1H3,(H,13,14,15)