2-[(2S)-1-[(5-azanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[(2S)-1-[(5-azanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylpyrimidin-4-olate Openeye Name: 2-[(1S)-2-(5-amino-2-fluoro-anilino)-1-methyl-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[(2S)-1-(5-amino-2-fluoroanilino)-1-oxopropan-2-yl]thio]-4-pyrimidinolate IUPAC Name: 2-[(2S)-1-(5-amino-2-fluoroanilino)-1-oxopropan-2-yl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[(1S)-2-(5-amino-2-fluoro-anilino)-2-keto-1-methyl-ethyl]thio]pyrimidin-4-olate Formula: C13H12FN4O2S- MolecularWeight: 307.323383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)N)F)SC2=NC=CC(=N2)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CC(=C1)N)F)SC2=NC=CC(=N2)[O-]

InChI

InChI=1S/C13H13FN4O2S/c1-7(21-13-16-5-4-11(19)18-13)12(20)17-10-6-8(15)2-3-9(10)14/h2-7H,15H2,1H3,(H,17,20)(H,16,18,19)/p-1/t7-/m0/s1