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

Systemtic Name: 5-[2-[(3-fluorophenyl)amino]-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 5-[2-(3-fluoroanilino)-2-oxo-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 5-[2-(3-fluoroanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 5-[2-(3-fluoroanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 5-[2-(3-fluoroanilino)-2-keto-ethyl]-2-(m-anisylthio)-6-methyl-pyrimidin-4-olate Formula: C21H19FN3O3S- MolecularWeight: 412.457263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC(=CC=C2)OC)[O-])CC(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC(=CC=C2)OC)[O-])CC(=O)NC3=CC(=CC=C3)F

InChI

InChI=1S/C21H20FN3O3S/c1-13-18(11-19(26)24-16-7-4-6-15(22)10-16)20(27)25-21(23-13)29-12-14-5-3-8-17(9-14)28-2/h3-10H,11-12H2,1-2H3,(H,24,26)(H,23,25,27)/p-1