5-ethyl-2-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 5-ethyl-2-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 5-ethyl-2-[2-(3-fluoroanilino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 5-ethyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 5-ethyl-2-[2-(3-fluoroanilino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 5-ethyl-2-[[2-(3-fluoroanilino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C15H15FN3O2S- MolecularWeight: 320.361903

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1[O-])SCC(=O)NC2=CC(=CC=C2)F)C

Isomeric SMILES

CCC1=C(N=C(N=C1[O-])SCC(=O)NC2=CC(=CC=C2)F)C

InChI

InChI=1S/C15H16FN3O2S/c1-3-12-9(2)17-15(19-14(12)21)22-8-13(20)18-11-6-4-5-10(16)7-11/h4-7H,3,8H2,1-2H3,(H,18,20)(H,17,19,21)/p-1