6-[2-[(2-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-[2-[(2-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-[2-(2-carbamoylanilino)-2-oxo-ethyl]-2-[(2-fluorophenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-[2-(2-carbamoylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-[2-(2-carbamoylanilino)-2-oxoethyl]-2-[(2-fluorophenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-[2-(2-carbamoylanilino)-2-keto-ethyl]-2-[(2-fluorobenzyl)thio]pyrimidin-4-olate Formula: C20H16FN4O3S- MolecularWeight: 411.429443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NC3=CC=CC=C3C(=O)N)F

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NC3=CC=CC=C3C(=O)N)F

InChI

InChI=1S/C20H17FN4O3S/c21-15-7-3-1-5-12(15)11-29-20-23-13(10-18(27)25-20)9-17(26)24-16-8-4-2-6-14(16)19(22)28/h1-8,10H,9,11H2,(H2,22,28)(H,24,26)(H,23,25,27)/p-1