2-[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5,6-dimethyl-pyrimidin-4-olate Openeye Name: 2-[2-(2-fluoroanilino)-2-oxo-ethyl]sulfanyl-5,6-dimethyl-pyrimidin-4-olate CAS Name: 2-[[2-(2-fluoroanilino)-2-oxoethyl]thio]-5,6-dimethyl-4-pyrimidinolate IUPAC Name: 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-5,6-dimethylpyrimidin-4-olate Traditional Name: 2-[[2-(2-fluoroanilino)-2-keto-ethyl]thio]-5,6-dimethyl-pyrimidin-4-olate Formula: C14H13FN3O2S- MolecularWeight: 306.335323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1[O-])SCC(=O)NC2=CC=CC=C2F)C

Isomeric SMILES

CC1=C(N=C(N=C1[O-])SCC(=O)NC2=CC=CC=C2F)C

InChI

InChI=1S/C14H14FN3O2S/c1-8-9(2)16-14(18-13(8)20)21-7-12(19)17-11-6-4-3-5-10(11)15/h3-6H,7H2,1-2H3,(H,17,19)(H,16,18,20)/p-1