2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-3-(2-fluorophenyl)-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-3-(2-fluorophenyl)-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[2-(tert-butylamino)-2-oxo-ethyl]sulfanyl-3-(2-fluorophenyl)-6-oxo-pyrimidin-4-olate CAS Name: 2-[[2-(tert-butylamino)-2-oxoethyl]thio]-3-(2-fluorophenyl)-6-oxo-4-pyrimidinolate IUPAC Name: 2-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-3-(2-fluorophenyl)-6-oxopyrimidin-4-olate Traditional Name: 2-[[2-(tert-butylamino)-2-keto-ethyl]thio]-3-(2-fluorophenyl)-6-keto-pyrimidin-4-olate Formula: C16H17FN3O3S- MolecularWeight: 350.387883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NC(=O)C=C(N1C2=CC=CC=C2F)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NC(=O)C=C(N1C2=CC=CC=C2F)[O-]

InChI

InChI=1S/C16H18FN3O3S/c1-16(2,3)19-13(22)9-24-15-18-12(21)8-14(23)20(15)11-7-5-4-6-10(11)17/h4-8,23H,9H2,1-3H3,(H,19,22)/p-1